SCHEMBL31592859

SCHEMBL31592859

N#Cc1ccc(Nc2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.69
▸ KCNH2 Q12809 4/20 0.69
▸ SOAT1 P35610 1/20 0.69
▸ NPBWR1 P48145 8/20 0.57
▸ KIT P10721 2/20 0.49
▸ CSNK1A1 P48729 3/20 0.48
▸ CSNK1D P48730 3/20 0.48
▸ GSK3B P49841 3/20 0.48
▸ CSNK1G2 P78368 3/20 0.48
▸ KDR P35968 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL31593002 0.98 DGAT1 (0.72) DGAT1KCNH2SOAT1NPBWR1KIT
SCHEMBL31592791 0.87 DGAT1 (0.60) DGAT1KCNH2SOAT1NPBWR1KIT
SCHEMBL31592836 0.83 DGAT1 (0.58) DGAT1KCNH2SOAT1NPBWR1KIT
SCHEMBL31592902 0.82 DGAT1 (0.63) DGAT1KCNH2SOAT1NPBWR1KIT
SCHEMBL27039980 0.82 DGAT1 (0.56) DGAT1KCNH2SOAT1NPBWR1KIT
SCHEMBL31593027 0.81 CBFB (0.64) DGAT1KCNH2SOAT1NPBWR1KIT
SCHEMBL31592989 0.80 DGAT1 (0.54) DGAT1KCNH2SOAT1NPBWR1KIT
SCHEMBL27039943 0.80 DGAT1 (0.54) DGAT1KCNH2SOAT1NPBWR1KIT
SCHEMBL31592803 0.80 DGAT1 (0.54) DGAT1KCNH2SOAT1NPBWR1KIT
SCHEMBL31593033 0.79 DGAT1 (0.53) DGAT1KCNH2SOAT1NPBWR1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP claimed
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP disclosed
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