SCHEMBL8977368

SCHEMBL8977368

Fc1cc2[nH]c(S)nc2cc1-n1cccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.37
CYP11B2 P19099 1/20 0.33
CBFB Q13951 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP19A1 P11511 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL8977372 0.94 GRIA1 (0.35) OPRL1CYP11B2CBFBKDM4EALDH1A1
SCHEMBL8071082 0.82 CYP19A1 (0.36) OPRL1CYP11B2CBFBKDM4EALDH1A1
SCHEMBL8977332 0.81 OPRL1 (0.37) OPRL1CYP11B2CBFBKDM4EALDH1A1
SCHEMBL16134561 0.80 KDM4E (0.38) OPRL1CBFBKDM4EALDH1A1CYP1A2
SCHEMBL213270 0.77 KDM4E (0.49) OPRL1CYP11B2CBFBKDM4EALDH1A1
SCHEMBL8068945 0.77 OPRL1 (0.51) OPRL1ALDH1A1HSD17B10EGLN1
SCHEMBL8071080 0.76 EGLN1 (0.52) OPRL1HPGDEGLN1
SCHEMBL8977401 0.76 OPRL1 (0.39) OPRL1CBFBKDM4EALDH1A1CYP1A2
SCHEMBL8070777 0.76 EGLN1 (0.52) OPRL1HPGDEGLN1
SCHEMBL8977340 0.75 GRIA1 (0.35) OPRL1CYP11B2CBFBKDM4EALDH1A1

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