SCHEMBL9002265

SCHEMBL9002265

NC(=O)N(CCSc1cccc2nccn12)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.38
ALDH1A1 P00352 4/20 0.35
HSD11B1 P28845 1/20 0.34
ATM Q13315 2/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK10 P53779 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL9002396 0.79 CDK8 (0.34) ALDH1A1RAB9ALMNAMEN1KMT2A
SCHEMBL9002610 0.77 HSD17B10 (0.34) ALDH1A1RAB9AGAA
SCHEMBL9002391 0.76 CDK8 (0.32) LMNA
SCHEMBL9002203 0.76 SMN1; SMN2 (0.34) ALDH1A1RAB9A
SCHEMBL9002232 0.76 CDK8 (0.37) ADORA2AALDH1A1RAB9AMEN1KMT2A
SCHEMBL9001960 0.72 CDK8 (0.34)
SCHEMBL9001872 0.70 CDK8 (0.34) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL9001994 0.70 CDK8 (0.42) ALDH1A1RAB9ATSHRLMNAMEN1
SCHEMBL9002023 0.70 CDK8 (0.42) IRAK4
SCHEMBL9002424 0.70 CDK8 (0.37) ADORA2AALDH1A1

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