SCHEMBL31363686

SCHEMBL31363686

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.34
S100A4 P26447 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HTR6 P50406 1/20 0.34
CTSB P07858 1/20 0.33
ERN1 O75460 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 2/20 0.31
FBP1 P09467 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL31363399 0.85 HTR6 (0.36) ASH1LHTR6CYP3A4CYP1A2CYP2D6
SCHEMBL14981533 0.80 TDP1 (0.44) ASH1LALDH1A1GAACYP3A4CYP1A2
SCHEMBL26914717 0.79 SOS1 (0.41) HTR6ALDH1A1MEN1MAPTKMT2A
SCHEMBL31364109 0.77 ASH1L (0.39) ASH1L
SCHEMBL31363930 0.75 ASH1L (0.37) ASH1LMEN1KMT2AIDO1
SCHEMBL26683500 0.71 ERN1 (0.38) S100A4TRPV1HTR6CTSBERN1
SCHEMBL31363868 0.71 NR4A2 (0.41) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL21636616 0.69 ASH1L (0.38) ASH1L
SCHEMBL18491500 0.69 AR (0.49) CYP1A2
SCHEMBL25340072 0.68 MAPT (0.37) HTR6ERN1ALDH1A1MAPK1MAPT

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