SCHEMBL9002013

SCHEMBL9002013

CS(=O)(=O)NCCCSc1cccc2nccn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.35
CDK8 P49336 2/20 0.34
ROCK1 Q13464 2/20 0.34
CHEK1 O14757 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
PRKACA P17612 1/20 0.34
KDR P35968 1/20 0.34
MAP2K1 Q02750 1/20 0.34
ACVR1 Q04771 1/20 0.34
MAP4K2 Q12851 1/20 0.34
DYRK1A Q13627 1/20 0.34
AURKB Q96GD4 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
FLT1 P17948 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL9002010 0.96 POLB (0.36) POLBHSD17B10ALDH1A1MAPTRECQL
SCHEMBL9002172 0.93 MAPT (0.43) POLBHSD17B10ALDH1A1MAPTRECQL
Hydrochloric Acid SCHEMBL9001908 0.91 MAPT (0.42) POLBHSD17B10ALDH1A1MAPTRECQL
SCHEMBL9002019 0.86 ALDH1A1 (0.35) HSD17B10ALDH1A1MAPTRECQLCDK8
SCHEMBL9002275 0.85 NPY5R (0.36) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002027 0.81 CNR2 (0.36) HSD17B10ALDH1A1MAPTCDK8ROCK1
SCHEMBL9002287 0.81 NPY5R (0.38) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002414 0.81 CDK8 (0.34) POLBHSD17B10ALDH1A1MAPTCDK8
SCHEMBL9001901 0.80 CYP3A4 (0.48) HSD17B10ALDH1A1PRKACANPY5RF13A1
SCHEMBL9002262 0.80 NPY5R (0.33) HSD17B10ALDH1A1MAPTCDK8ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP claimed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP claimed
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