SCHEMBL31661659

SCHEMBL31661659

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
THRB P10828 1/20 0.55
S1PR1 P21453 7/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NR1H4 Q96RI1 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL31661744 0.95 NR1H4 (0.50) LMNATHRBS1PR1NPC1RAB9A
SCHEMBL31661762 0.95 NR1H4 (0.50) LMNATHRBS1PR1NPC1RAB9A
SCHEMBL31661798 0.88 CASP3 (0.44) LMNATHRBS1PR1NPC1RAB9A
SCHEMBL31661653 0.86 USP1 (0.52) LMNATHRBS1PR1NPC1RAB9A
SCHEMBL31661677 0.86 USP1 (0.52) LMNATHRBS1PR1NPC1RAB9A
SCHEMBL31661764 0.84 RAB9A (0.43) LMNATHRBS1PR1NPC1RAB9A
SCHEMBL31661802 0.84 NPC1 (0.43) LMNATHRBS1PR1NPC1RAB9A
SCHEMBL31661587 0.84 SMN1; SMN2 (0.56) LMNATHRBS1PR1NPC1RAB9A
SCHEMBL31661753 0.83 S1PR1 (0.42) LMNATHRBS1PR1NPC1RAB9A
SCHEMBL31661828 0.81 USP1 (0.41)

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