SCHEMBL31661764

SCHEMBL31661764

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccc(F)cc3Br)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
TP53 P04637 3/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
S1PR1 P21453 11/20 0.40
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP3 P42574 1/20 0.38
S1PR3 Q99500 3/20 0.38
KDM4E B2RXH2 1/20 0.37
HSP90AA1 P07900 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
SCHEMBL31661635 0.91 S1PR1 (0.45) RAB9ASMN1; SMN2NPC1TP53NFKB1
SCHEMBL31661691 0.87 S1PR1 (0.38) RAB9ASMN1; SMN2NPC1TP53NFKB1
SCHEMBL31661641 0.86 S1PR1 (0.46) RAB9ASMN1; SMN2NPC1TP53NFKB1
SCHEMBL31661537 0.86 NPC1 (0.41) RAB9ASMN1; SMN2NPC1TP53NFKB1
SCHEMBL31661770 0.85 S1PR1 (0.43) RAB9ASMN1; SMN2NPC1MAPK1LMNA
SCHEMBL31661659 0.84 LMNA (0.55) RAB9ASMN1; SMN2NPC1TP53NFKB1
SCHEMBL31661698 0.84 USP1 (0.38) RAB9ASMN1; SMN2NPC1TP53NFKB1
SCHEMBL31661802 0.83 NPC1 (0.43) RAB9ASMN1; SMN2NPC1TP53NFKB1
SCHEMBL31661762 0.82 NR1H4 (0.50) RAB9ASMN1; SMN2NPC1TP53NFKB1
SCHEMBL31661744 0.82 NR1H4 (0.50) RAB9ASMN1; SMN2NPC1TP53NFKB1

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