SCHEMBL31592803

SCHEMBL31592803

Fc1ccc(-c2ccc(Nc3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)nn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.54
▸ KCNH2 Q12809 5/20 0.54
▸ NPBWR1 P48145 9/20 0.53
▸ KDR P35968 3/20 0.48
▸ KIT P10721 1/20 0.48
▸ SOAT1 P35610 2/20 0.45
▸ CBFB Q13951 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MET P08581 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
SCHEMBL27039980 0.88 DGAT1 (0.56) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL31592920 0.88 DGAT1 (0.51) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL27039959 0.87 MAPT (0.52) KDRKDM4EMEN1ALDH1A1TP53
SCHEMBL27039943 0.86 DGAT1 (0.54) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL31592989 0.86 DGAT1 (0.54) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL31593033 0.86 DGAT1 (0.53) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL31592960 0.84 NPBWR1 (0.61) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL27040749 0.84 NPBWR1 (0.61) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL31592861 0.84 DGAT1 (0.53) DGAT1KCNH2NPBWR1KDRKIT
SCHEMBL31593027 0.83 CBFB (0.64) DGAT1KCNH2NPBWR1KDRKIT

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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