SCHEMBL9002172

SCHEMBL9002172

CS(=O)(=O)NCCSc1cccc2nccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 1/20 0.42
RECQL P46063 2/20 0.39
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
CDK8 P49336 2/20 0.35
ROCK1 Q13464 2/20 0.35
CHEK1 O14757 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ACVR1 Q04771 1/20 0.35
MAP4K2 Q12851 1/20 0.35
DYRK1A Q13627 1/20 0.35
AURKB Q96GD4 1/20 0.35
DYRK1B Q9Y463 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
Hydrochloric Acid SCHEMBL9001908 0.99 MAPT (0.42) MAPTALDH1A1HSD17B10RECQLPOLB
SCHEMBL9002013 0.93 POLB (0.37) MAPTALDH1A1HSD17B10RECQLPOLB
SCHEMBL9002010 0.91 POLB (0.36) MAPTALDH1A1HSD17B10RECQLPOLB
SCHEMBL9002027 0.89 CNR2 (0.36) MAPTALDH1A1HSD17B10LMNACDK8
SCHEMBL9002019 0.88 ALDH1A1 (0.35) MAPTALDH1A1HSD17B10RECQLCDK8
SCHEMBL9002262 0.86 NPY5R (0.33) MAPTALDH1A1HSD17B10CDK8ROCK1
SCHEMBL9002373 0.85 KDM4E (0.36) MAPTALDH1A1HSD17B10CDK8ROCK1
SCHEMBL9002538 0.84 CDK8 (0.33) MAPTALDH1A1CDK8ROCK1CHEK1
SCHEMBL9001975 0.84 KMT2A (0.47) MAPTALDH1A1HSD17B10POLBTDP1
SCHEMBL9002239 0.83 ALDH1A1 (0.49) MAPTALDH1A1POLBLMNAKMT2A

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 10 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
JP-5051383-A None JP disclosed
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
US-5191018-A IMPACT-RESISTANT GRAFT COPOLYMER AND THERMOPLASTIC RESIN COMPOSITION CONTAINING SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-03-02 US disclosed
JP-H0551383-A IMIDAZO (1,2-A) PYRIDINE DERIVATIVE AND CALMODULIN-INHIBITING AGENT CONTAINING THE SAME TAKEDA CHEM IND LTD 1993-03-02 JP disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP disclosed