SCHEMBL10832587

SCHEMBL10832587

COc1ccc(C(=O)N2CCNC2=Nc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ GPR6 P46095 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ DRD2 P14416 1/20 0.39

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
SCHEMBL10832129 0.89 NPC1 (0.47) SMN1; SMN2RAB9AALDH1A1TSHRKMT2A
SCHEMBL10831735 0.89 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AKDM4EMEN1
SCHEMBL10832451 0.88 GPR6 (0.45) SMN1; SMN2RAB9AALDH1A1TSHRMGLL
SCHEMBL10880573 0.88 POLB (0.40) MGLLKMT2AMEN1MAPTRECQL
SCHEMBL10832885 0.88 POLB (0.40) MGLLKMT2AMEN1MAPTRECQL
SCHEMBL10832149 0.87 ALDH1A1 (0.47) SMN1; SMN2RAB9AALDH1A1TSHRKMT2A
SCHEMBL10831616 0.86 HSD11B1 (0.39) MGLLKDM4EPOLBGPR6DRD2
SCHEMBL10831640 0.85 ALDH1A1 (0.36) SMN1; SMN2RAB9AALDH1A1TSHRKMT2A
SCHEMBL10831645 0.85 ALDH1A1 (0.36) SMN1; SMN2RAB9AALDH1A1TSHRKMT2A
SCHEMBL10832323 0.84 PTGS2 (0.42) ALDH1A1MGLLPTPN11LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4581460-A ANALGESICS CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-04-08 — — US claimed
US-4581460-A ANALGESICS CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-04-08 — — US disclosed
EP-0083729-B1 SUBSTITUTED 1-BENZOYL-2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-02-26 — — EP disclosed
EP-0083729-A1 Substituted 1-benzoyl-2-phenylimino-imidazolidines, their acid addition salts, process for their preparation and pharmaceutical compositions containing them CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1983-07-20 — — EP disclosed
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