SCHEMBL9002004

SCHEMBL9002004

O=C(OCCCSc1cccc2nccn12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
CHEK1 O14757 1/20 0.37
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
PRKACA P17612 1/20 0.37
KDR P35968 1/20 0.37
CDK8 P49336 1/20 0.37
MAP2K1 Q02750 1/20 0.37
ACVR1 Q04771 1/20 0.37
MAP4K2 Q12851 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37
AURKB Q96GD4 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
SCN1A P35498 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
SCHEMBL9001943 0.78 CDK8 (0.38) TDP1L3MBTL1TSHRMAPK1LMNA
SCHEMBL9002351 0.77 RAB9A (0.52) L3MBTL1LMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL9002390 0.76 CDK8 (0.41) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9002414 0.75 CDK8 (0.34) L3MBTL1TSHRLMNACHEK1MAP4K4
SCHEMBL9002741 0.75 CDK8 (0.41) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9002631 0.73 CDK8 (0.41) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9002017 0.73 LMNA (0.46) L3MBTL1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL9001903 0.72 NPC1 (0.39) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9002520 0.72 ACHE (0.43) SMN1; SMN2HPGD
SCHEMBL9002235 0.71 SMN1; SMN2 (0.42) TSHRSMN1; SMN2ALOX15ALDH1A1RAB9A

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