SCHEMBL8977401

SCHEMBL8977401

Cc1ccc(C)n1-c1cc2nc(S)[nH]c2cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.39
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
CBFB Q13951 1/20 0.32
AMY1A P0DUB6 1/20 0.32
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
MYC P01106 1/20 0.31

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
SCHEMBL14502996 0.76 MEN1 (0.43) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8977368 0.76 OPRL1 (0.37) OPRL1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL213270 0.75 KDM4E (0.49) OPRL1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8068945 0.75 OPRL1 (0.51) OPRL1ALDH1A1HSD17B10FGFR1FGFR2
SCHEMBL8069092 0.74 OPRL1 (0.57) OPRL1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8469574 0.74 DHODH (0.36) KDM4EALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL8469581 0.74 ALDH1A1 (0.37) KDM4EALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL8071080 0.73 EGLN1 (0.52) OPRL1HPGD
SCHEMBL8070777 0.73 EGLN1 (0.52) OPRL1HPGD
SCHEMBL8069366 0.72 OPRL1 (0.66) OPRL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5554631-A ANTIULCER IL-YANG PHARM. CO., LTD. (KR) 1996-09-10 US disclosed