SCHEMBL31661606

SCHEMBL31661606

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccc(F)cc3-c3cc(Cl)ccc3Cl)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
DUSP3 P51452 1/20 0.44
PTPN11 Q06124 1/20 0.44
NPC1 O15118 4/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 3/20 0.36
NR1H4 Q96RI1 1/20 0.36
USP1 O94782 2/20 0.35
CASP3 P42574 2/20 0.35
S1PR1 P21453 3/20 0.35

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) RAB9ADUSP3PTPN11NPC1HPGD
SCHEMBL31661749 0.92 RAB9A (0.38) RAB9ADUSP3PTPN11NPC1HPGD
SCHEMBL31661668 0.90 SMN1; SMN2 (0.49) RAB9ANPC1HPGDTP53L3MBTL1
SCHEMBL31661573 0.89 PTGS1 (0.41) RAB9ANPC1HPGDTP53L3MBTL1
SCHEMBL31661680 0.88 NPC1 (0.38) RAB9ANPC1HPGDTP53L3MBTL1
SCHEMBL31661698 0.88 USP1 (0.38) RAB9ANPC1HPGDTP53L3MBTL1
SCHEMBL31661561 0.87 NPC1 (0.40) RAB9ANPC1HPGDTP53L3MBTL1
SCHEMBL31661647 0.86 NPC1 (0.44) RAB9ANPC1HPGDTP53L3MBTL1
SCHEMBL31661691 0.85 S1PR1 (0.38) RAB9ANPC1TP53L3MBTL1SMN1; SMN2
SCHEMBL31661537 0.84 NPC1 (0.41) RAB9ANPC1HPGDTP53L3MBTL1

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