SCHEMBL811028

SCHEMBL811028

Cc1ccc(C(=O)N=C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 3/20 0.45
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
PKM P14618 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
NLRP1 Q9C000 1/20 0.45
GAA P10253 1/20 0.45
NTSR1 P30989 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3393415 0.89 TP53 (0.36) ALDH1A1CES2CES1LMNAHTT
SCHEMBL328994 0.84 ALDH1A1 (0.52) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL2892447 0.81 ALDH1A1 (0.48) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL1557844 0.81 ALDH1A1 (0.48) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL3205731 0.78 CES2 (0.50) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL3208606 0.78 TPMT (0.48) ALDH1A1NPSR1KMT2AHPGDGAA
SCHEMBL4247526 0.78 CES2 (0.50) CES2CES1LMNAHTTNPSR1
SCHEMBL15540018 0.78 TPMT (0.48) GSK3B
SCHEMBL67959 0.78 CES2 (0.50) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL28364182 0.78 MAPT (0.42) ALDH1A1LMNASMN1; SMN2TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085598-A Woodware grain developing agent and preparation method and use method thereof 嘉宝莉化工集团股份有限公司 2022-02-25 CN claimed
CN-115197113-B Combretastatin A-4 derivative containing thiourea structure, preparation method and application thereof 南通大学 2023-08-18 CN disclosed
CN-114085598-B Woodware grain developing agent and preparation method and use method thereof 嘉宝莉化工集团股份有限公司 2023-05-02 CN disclosed
CN-115197113-A Combretastatin A-4 derivative containing thiourea structure, preparation method and application thereof 南通大学 2022-10-18 CN disclosed
CN-114085598-A Woodware grain developing agent and preparation method and use method thereof 嘉宝莉化工集团股份有限公司 2022-02-25 CN disclosed
EP-3470452-B1 METHOD FOR MANUFACTURING CAST POLYAMIDES LANXESS DEUTSCHLAND GMBH (DE) 2021-05-19 EP disclosed
EP-2970114-B1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-15 EP disclosed
EP-3470452-A1 METHOD FOR MANUFACTURING CAST POLYAMIDES LANXESS Deutschland GmbH (DE) 2019-04-17 EP disclosed
EP-2447302-B1 Method for manufacturing cast polyamides LANXESS DEUTSCHLAND GMBH (DE) 2018-11-28 EP disclosed
US-9932476-B2 Pavement marking compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-04-03 US disclosed
EP-0197280-A2 Benzoyl ureas BAYER AG (DE) 1986-10-15 EP disclosed
US-4613612-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1986-09-23 US disclosed
EP-0172510-A2 Benzoyl ureas BAYER AG (DE) 1986-02-26 EP disclosed
EP-0084784-B1 N,N-BIS(-BETA-HYDROXYALKYL)-ARYL AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HARDENING ACCELERATORS BAYER AG (DE) 1985-06-05 EP disclosed
EP-0045423-B1 PROCESS FOR THE ALPHA-HALOGENATION OF POSSIBLY SUBSTITUTED METHYL AROMATICS BAYER AG (DE) 1984-02-22 EP disclosed
EP-0084784-A1 N,N-bis(-beta-hydroxyalkyl)-aryl amine derivatives, process for their preparation and their use as hardening accelerators BAYER AG (DE) 1983-08-03 EP disclosed
EP-0047496-A1 Sulfonyl ureas, processes for their production, pharmaceutical compositions based on these compounds and their use HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-17 EP disclosed
EP-0045423-A1 Process for the alpha-halogenation of possibly substituted methyl aromatics BAYER AG (DE) 1982-02-10 EP disclosed
US-4282212-A Immune-stimulating 1-(N-acylcarbamoyl)-2-cyanoaziridines BOEHRINGER MANNHEIM GMBH (DE) 1981-08-04 US disclosed
US-4072712-A FROM ISOCYANATES, CATALYSIS BAYER AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed