SCHEMBL31661730

SCHEMBL31661730

Cn1cc(C(F)(F)F)nc1-c1ccc(C(=N)NOC(=O)c2cc(Br)ccc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2D6 P10635 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.39
PMP22 Q01453 1/20 0.39
USP1 O94782 6/20 0.35
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL31661804 0.93 ADRB2 (0.42) ADRB2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL31661807 0.85 ADRB2 (0.41) ADRB2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL31661812 0.84 ADRB2 (0.45) ADRB2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL31661796 0.83 ADRB2 (0.43) ADRB2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL31661760 0.81 USP1 (0.41) ADRB2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL31661809 0.78 ADRB2 (0.38) ADRB2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL31661763 0.75 PTGS2 (0.39) ADRB2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL31661741 0.75 ADRB2 (0.41) ADRB2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL22122022 0.73 ADORA2A (0.46) ADRB2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL22165856 0.71 PTGS2 (0.44) KDM4EUSP1PTGS2PTGS1

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