SCHEMBL31661763

SCHEMBL31661763

Cn1cc(C(F)(F)F)nc1-c1ccc(C(=N)NO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
USP1 O94782 16/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRB2 P07550 1/20 0.37

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
SCHEMBL31661818 0.85 PTGS2 (0.39) PTGS2USP1HDAC3HDAC4HDAC1
SCHEMBL31661812 0.83 ADRB2 (0.45) PTGS2USP1KDM4EALDH1A1CYP3A4
SCHEMBL25255920 0.79 USP1 (0.45) PTGS2USP1HDAC6KDM4EALDH1A1
SCHEMBL31138700 0.79 PTGS2 (0.44) PTGS2USP1KDM4EALDH1A1CYP3A4
SCHEMBL22122022 0.78 ADORA2A (0.46) PTGS2USP1KDM4EALDH1A1CYP3A4
SCHEMBL10915635 0.78 PTGS2 (0.44) PTGS2USP1KDM4EALDH1A1CYP3A4
SCHEMBL22165856 0.78 PTGS2 (0.44) PTGS2USP1KDM4E
SCHEMBL31661785 0.77 ALDH1A1 (0.44) PTGS2USP1HDAC3HDAC4HDAC1
SCHEMBL31138591 0.77 PTGS2 (0.39) PTGS2USP1
SCHEMBL30603218 0.77 USP1 (0.43) USP1

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-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed