SCHEMBL9002005

SCHEMBL9002005

CCCCNC(=O)NCCSc1cccc2nccn12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 3/20 0.41
HPGD P15428 1/20 0.41
EPHX2 P34913 3/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
EPHX1 P07099 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.35
CDK8 P49336 1/20 0.35
ATM Q13315 1/20 0.35
FBP1 P09467 1/20 0.35

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
SCHEMBL9002210 0.93 SMN1; SMN2 (0.38) HTTSMN1; SMN2POLBHPGDEPHX2
SCHEMBL9002613 0.91 CNR2 (0.37) POLBKDM4EALDH1A1GAACDK8
SCHEMBL9002400 0.87 MTNR1A (0.35) SMN1; SMN2POLBHPGDALDH1A1GAA
SCHEMBL9189084 0.86 POLB (0.42) HTTPOLBHPGDEPHX2ALDH1A1
SCHEMBL9002520 0.85 ACHE (0.43) HTTSMN1; SMN2POLBHPGDEPHX2
SCHEMBL9001920 0.84 MTNR1A (0.47) ALDH1A1TSHRCDK8
SCHEMBL9002397 0.84 ALDH1A1 (0.36) POLBKDM4EALDH1A1GAAEPHX1
SCHEMBL9001977 0.82 MTNR1B (0.37) SMN1; SMN2HPGDKDM4EALDH1A1NPC1
SCHEMBL9001857 0.82 HPGD (0.34) HTTSMN1; SMN2POLBHPGDEPHX2
SCHEMBL9002309 0.82 SMN1; SMN2 (0.37) HTTSMN1; SMN2POLBHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587383-A CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-24 US disclosed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP disclosed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 US disclosed
US-5244908-A Calmodulin inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 US disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP disclosed