SCHEMBL31497604

SCHEMBL31497604

O=Cc1ccc(-c2cccc(C(F)(F)F)n2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
TGFBR1 P36897 5/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
NOTUM Q6P988 1/20 0.38
IDH1 O75874 7/20 0.38
IDH2 P48735 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL19072687 0.80 KMO (0.43) TGFBR1ALOX5APFEN1NOTUMIDH1
SCHEMBL18002536 0.78 CDK8 (0.43) TGFBR1NOTUMIDH1IDH2GABRA1
SCHEMBL18003107 0.77 NOTUM (0.43) KIF11TGFBR1NOTUMIDH1IDH2
SCHEMBL18003510 0.76 ALDH1A1 (0.39) KIF11ALOX5APFEN1IDH1IDH2
SCHEMBL875110 0.74 ALOX5AP (0.43) KIF11ALOX5APFEN1ALDH1A1
SCHEMBL31497573 0.74 ALDH1A1 (0.43) TGFBR1NOTUMIDH1IDH2ALDH1A1
SCHEMBL7474902 0.72 HSD17B14 (0.42)
SCHEMBL6852399 0.72 ALDH1A1 (0.55) KIF11ALDH1A1SMN1; SMN2
SCHEMBL16399322 0.71 IDH2 (0.42) TGFBR1NOTUMIDH1IDH2ALDH1A1
SCHEMBL31497612 0.71 TGFBR1 (0.44) KIF11TGFBR1ALOX5APFEN1NOTUM

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
WO-2025095751-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME 현대약품 주식회사 2025-05-08 WO disclosed