SCHEMBL48609

SCHEMBL48609

O=C(O)Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 1.00
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
TBXAS1 P24557 9/20 0.61
AKR1B1 P15121 1/20 0.58
KDM4E B2RXH2 1/20 0.56
RECQL P46063 1/20 0.53
EPHX2 P34913 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
SCHEMBL29430342 1.00 NAPRT (1.00) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Water SCHEMBL27728999 0.98 NAPRT (0.96) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Hydrochloric Acid SCHEMBL26689831 0.98 NAPRT (0.96) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL986770 0.98 NAPRT (0.96) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Hydrochloric Acid SCHEMBL177895 0.98 NAPRT (0.96) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL26116267 0.98 NAPRT (0.96) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Hydrochloric Acid SCHEMBL5332088 0.98 NAPRT (0.96) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Hydrochloric Acid SCHEMBL27823037 0.96 NAPRT (0.92) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Sulfuric Acid SCHEMBL6676982 0.93 NAPRT (0.86) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Alcohol SCHEMBL28317498 0.93 NAPRT (0.86) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1

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

Appears in 2112 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3869192-B1 METHOD FOR QUANTITATIVE DETECTION OF VARIOUS METABOLITES IN BIOLOGICAL SAMPLE HUMAN METABOLOMICS INST INC (CN) 2026-05-13 EP claimed
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
US-20250258146-A1 QUANTITATIVE DETECTION METHOD OF MULTIPLE METABOLITES IN BIOLOGICAL SAMPLE AND METABOLIC CHIP HUMAN METABOLOMICS INSTITUTE INC. (CN) 2025-08-14 US 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-118931803-A Sphingomonas J-6, microbial preparation and application thereof 河南农业大学 2024-11-12 CN claimed
CN-117969859-B Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-09-06 CN claimed
CN-117969859-A Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-05-03 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
US-11820929-B2 Etching compositions FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2023-11-21 US 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
WO-1995006052-A1 PROCESS FOR PRODUCING N-AMINO-1-HYDROXY-ALKYL-IDENE-1,1-BISPHOSPHONIC ACIDS MERCK & CO., INC. (US) 1995-03-02 WO claimed
CN-1021735-C Process for producing carbapenem compound ERBA FARMITALIA (IT) 1993-08-04 CN claimed
US-4921847-A Trihalo(amine)gold(III) anti-tumor complexes ENGELHARD CORPORATION (US) 1990-05-01 US claimed
EP-0195147-B1 TRIHALO(AMINE)GOLD(III) COMPLEXES ENGELHARD CORPORATION (US) 1989-11-08 EP claimed
EP-0131995-B1 COMPOUNDS WITH HYPOLIPEMIC ACTIVITY MAGGIONI-WINTHROP S.P.A. (IT) 1988-02-03 EP claimed
US-4673472-A Method and electroplating solution for deposition of palladium or alloys thereof TECHNIC INC. (US) 1987-06-16 US claimed
EP-0042154-B1 NEW CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-15 EP claimed
EP-0195147-A1 Trihalo(amine)gold(III) complexes ENGELHARD CORPORATION (US) 1986-09-24 EP claimed
EP-0131995-A1 Compounds with hypolipemic activity MAGGIONI-WINTHROP S.P.A. (IT) 1985-01-23 EP claimed
US-4406755-A Bright palladium electrodeposition TECHNIC INC. (US) 1983-09-27 US claimed