SCHEMBL6965489

SCHEMBL6965489

Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(C=CC=CC#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
KDR P35968 1/20 0.43
POLB P06746 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 6/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 5/20 0.40
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6965482 1.00 FFAR1 (0.44) FFAR1KDRPOLBALDH1A1MEN1
SCHEMBL6969593 0.90 FFAR1 (0.54) FFAR1KDRMAPTPPARGPPARA
SCHEMBL6969598 0.90 FFAR1 (0.54) FFAR1KDRMAPTPPARGPPARA
SCHEMBL6957771 0.86 FFAR1 (0.49) FFAR1KDRPOLBALDH1A1MEN1
SCHEMBL6957767 0.86 FFAR1 (0.49) FFAR1KDRPOLBALDH1A1MEN1
SCHEMBL4034465 0.82 RAB9A (0.53) FFAR1KDRPOLBALDH1A1MEN1
SCHEMBL6965102 0.82 KDR (0.51) FFAR1KDRPOLBALDH1A1MEN1
SCHEMBL6965096 0.82 KDR (0.51) FFAR1KDRPOLBALDH1A1MEN1
SCHEMBL6969793 0.81 KDR (0.59) FFAR1KDRPOLBMAPTPPARG
SCHEMBL6969790 0.81 KDR (0.59) FFAR1KDRPOLBMAPTPPARG

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