SCHEMBL31363399

SCHEMBL31363399

O=[N+]([O-])c1cc(I)cc2c1ccn2CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
ASH1L Q9NR48 1/20 0.34
MET P08581 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL31363686 0.85 ASH1L (0.34) HTR6ASH1LCYP1A2CYP3A4CYP2D6
SCHEMBL14981533 0.79 TDP1 (0.44) ASH1LMETCYP1A2CYP3A4CYP2D6
SCHEMBL31363601 0.76 ASH1L (0.39) ASH1L
SCHEMBL18491500 0.68 AR (0.49) CYP1A2
SCHEMBL20660903 0.66 NPC1 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13075102 0.65 ALDH1A1 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19252141 0.65 CCR2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29876445 0.65 CCR2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL591171 0.63 MEN1 (0.36) CYP3A4CYP2C9CYP2C19
SCHEMBL15716754 0.62 GAA (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed