SCHEMBL48554

SCHEMBL48554

O=C(O)Cc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.61
NAPRT Q6XQN6 2/20 0.57
CA2 P00918 1/20 0.56
CAMK2A Q9UQM7 1/20 0.56
CYP19A1 P11511 3/20 0.55
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
GABRA4 P48169 1/20 0.53
GABRE P78334 1/20 0.53
GABRA6 Q16445 1/20 0.53
GABRG1 Q8N1C3 1/20 0.53
GABRG3 Q99928 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26114653 0.98 AKR1B1 (0.58) AKR1B1NAPRTCA2CAMK2ACYP19A1
SCHEMBL987989 0.98 AKR1B1 (0.58) AKR1B1NAPRTCA2CAMK2ACYP19A1
Hydrochloric Acid SCHEMBL367129 0.98 AKR1B1 (0.58) AKR1B1NAPRTCA2CAMK2ACYP19A1
Hydrochloric Acid SCHEMBL11097357 0.98 AKR1B1 (0.58) AKR1B1NAPRTCA2CAMK2ACYP19A1
Hydrochloric Acid SCHEMBL28071881 0.95 AKR1B1 (0.56) AKR1B1NAPRTCA2CAMK2ACYP19A1
Phenylacetic Acid SCHEMBL8733324 0.91 AKR1B1 (0.71) AKR1B1NAPRTCA2CAMK2ACYP19A1
SCHEMBL5149062 0.87 ABCC4 (0.67) AKR1B1NAPRTCA2CAMK2AGAA
Phenylacetic Acid SCHEMBL8586416 0.84 AKR1B1 (0.74) AKR1B1NAPRTCA2CAMK2ACYP19A1
Hydrochloric Acid SCHEMBL8073173 0.83 NAPRT (0.83) AKR1B1NAPRTCYP19A1GAAALDH1A1
SCHEMBL27567828 0.82 ALDH1A1 (0.51) AKR1B1NAPRTCA2CYP19A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1188 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025243208-A2 PROCESS FOR THE PREPARATION AND/OR PURIFICATION OF POLYETHYLENE GLYCOL AND ITS DERIVATIVES, OBTAINED PRODUCT AND USES THEREOF HOVIONE - FARMACIÊNCIA, SA (PT) 2025-11-27 WO claimed
CN-119899214-A Iridium-containing Lewis base catalyst and preparation method and application thereof 山东汇盟生物科技股份有限公司 2025-04-29 CN claimed
CN-118993027-A Preparation method and application of porous carbon with bimodal pore size distribution 福建省鑫森炭业股份有限公司 2024-11-22 CN claimed
CN-116936810-B Positive pole piece of sodium ion battery and sodium ion battery 天鹏锂能技术(淮安)有限公司 2023-12-12 CN claimed
CN-117126237-A CH02 derivative containing amino acid chain and hydrazinonigulamido and application thereof 北京师范大学 2023-11-28 CN claimed
US-11820929-B2 Etching compositions FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2023-11-21 US claimed
CN-115260155-B Glutamic acid-urea derivative containing triazole ring and hydrazinonigulamido and application thereof 北京师范大学 2023-11-10 CN claimed
CN-116936810-A Positive pole piece of sodium ion battery and sodium ion battery 天鹏锂能技术(淮安)有限公司 2023-10-24 CN claimed
CN-116874489-A Technetium-99 m marked folic acid derivative containing D-proline modification and preparation method and application thereof 北京师范大学 2023-10-13 CN claimed
EP-4211200-A1 ETCHING COMPOSITIONS FUJIFILM Electronic Materials U.S.A, Inc. (US) 2023-07-19 EP claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
EP-0378604-B1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES ERBA CARLO SPA (IT) 1994-03-02 EP claimed
EP-0334633-B1 PREPARATION OF 2,6-DIOXOPIPERIDINE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 1993-05-12 EP claimed
EP-0097551-B1 USE OF VANADIUM, NIOBIUM AND TANTALUM PEROXIDIC COMPLEXES AS REAGENTS AND CATALYSTS IN THE HYDROXYLATION OF AROMATIC HYDROCARBONS Institut Français du Pétrole (FR) 1986-10-15 EP claimed
US-4514565-A Thiazolylacetamido cephalosphorin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-30 US claimed
EP-0076452-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-04-13 EP claimed
EP-0059683-A2 7-Acylamido-3-cephem-4-carboxylic acids, process for their preparation, pharmaceutical compositions containing them and their use CIBA-GEIGY AG (CH) 1982-09-08 EP claimed
US-4296111-A 7-Substituted methyl cephalosporins derivatives and analogues thereof MERCK & CO. INC. (US) 1981-10-20 US claimed
US-4132789-A 7-[2-(2-Imino-4-thiazolin-4-yl)-2-sulfoacetamido]cephalosporins and antibacterial compositions containing them TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-01-02 US claimed