SCHEMBL31661749

SCHEMBL31661749

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccc(F)cc3-c3ccc(Cl)cc3F)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
S1PR1 P21453 4/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL31661692 0.94 RAB9A (0.39) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL31661606 0.92 RAB9A (0.44) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL31661698 0.89 USP1 (0.38) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL31661668 0.89 SMN1; SMN2 (0.49) RAB9ANPC1L3MBTL1ALDH1A1S1PR1
SCHEMBL31661680 0.87 NPC1 (0.38) RAB9ANPC1L3MBTL1CASP3S1PR1
SCHEMBL31661561 0.86 NPC1 (0.40) RAB9ANPC1L3MBTL1ALDH1A1S1PR1
SCHEMBL31661590 0.86 NPC1 (0.44) RAB9ANPC1L3MBTL1S1PR1TP53
SCHEMBL31661573 0.86 PTGS1 (0.41) RAB9ANPC1L3MBTL1CASP3S1PR1
SCHEMBL31661691 0.85 S1PR1 (0.38) RAB9ANPC1L3MBTL1S1PR1TP53
SCHEMBL31661647 0.85 NPC1 (0.44) RAB9ANPC1L3MBTL1CASP3S1PR1

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 2 patents. 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 claimed
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed