SCHEMBL6963034

SCHEMBL6963034

Cc1oc(-c2ccccc2)nc1COc1ccc2cc(N)cnc2c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.57
FFAR1 O14842 1/20 0.53
PPARG P37231 10/20 0.48
PPARA Q07869 10/20 0.48
MAPT P10636 4/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
TP53 P04637 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL6967037 0.83 KDR (0.53) KDRFFAR1PPARGPPARAMAPT
SCHEMBL10372016 0.82 FFAR1 (0.65) KDRFFAR1PPARGPPARAMAPT
SCHEMBL9721982 0.82 KDR (0.71) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6248263 0.81 KDR (0.63) KDRFFAR1PPARGPPARAMAPT
Methane SCHEMBL7559602 0.79 KDR (0.67) KDRFFAR1PPARGPPARAMAPT
SCHEMBL8824949 0.78 KDR (0.46) KDRFFAR1PPARGPPARAMAPT
SCHEMBL7559600 0.77 KDR (0.83) KDRFFAR1PPARGPPARAMAPT
SCHEMBL7564833 0.77 KDR (0.65) KDRFFAR1PPARGPPARAMAPT
SCHEMBL19392906 0.77 FFAR1 (0.68) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6968832 0.77 PPARG (0.53) KDRFFAR1PPARGPPARAKDM4E

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-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
US-5693651-A HYPOGLYCEMIC AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1997-12-02 US disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed