SCHEMBL31363930

SCHEMBL31363930

O=C(O)c1cc(Br)cc2c1ccn2CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.37
EPRS1 P07814 1/20 0.36
CYP19A1 P11511 1/20 0.36
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35
AKR1C4 P17516 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
RHEB Q15382 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
MYC P01106 1/20 0.33
NR4A1 P22736 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
HTR3A P46098 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL31363868 0.84 NR4A2 (0.41) HTR3AMEN1KMT2A
SCHEMBL19260954 0.78 KDM4E (0.43) ASH1LCYP19A1KDM4ENR4A1HTR3A
SCHEMBL31364109 0.77 ASH1L (0.39) ASH1L
SCHEMBL31363686 0.75 ASH1L (0.34) ASH1LIDO1MEN1KMT2A
SCHEMBL20604814 0.73 PTPN1 (0.44) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL16899455 0.72 NOTUM (0.33) ASH1LEPRS1CYP19A1RHEBMYC
SCHEMBL31364001 0.72 BACE1 (0.37) RXFP1
SCHEMBL2654320 0.71 HTR3A (0.47) KDM4CHTR3AIDO1MEN1KMT2A
SCHEMBL30838224 0.71 CNR1 (0.36) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL28489856 0.70 CYP19A1 (0.45) CYP19A1KDM4EMEN1KMT2AHSD17B10

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