SCHEMBL6969790

SCHEMBL6969790

Cc1oc(-c2ccccc2)nc1COc1cccc(/C=C/C=C/C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.59
FFAR1 O14842 1/20 0.47
PPARG P37231 7/20 0.45
PPARA Q07869 7/20 0.45
MAPT P10636 3/20 0.45
PTPN1 P18031 1/20 0.43
CYP2C9 P11712 2/20 0.43
KCNH2 Q12809 2/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43

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
SCHEMBL6969793 1.00 KDR (0.59) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6969593 0.89 FFAR1 (0.54) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6969598 0.89 FFAR1 (0.54) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6960372 0.85 KDR (0.63) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6960376 0.85 KDR (0.63) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6157414 0.82 KDR (0.67) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6962546 0.81 KDR (0.47) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6965127 0.81 KDR (0.69) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6962550 0.81 KDR (0.47) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6965135 0.81 KDR (0.69) KDRFFAR1PPARGPPARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629624-B1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 EP disclosed
US-5591862-A ANTILIPEMICS, TREATING DIABETES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0629624-A1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP disclosed