SCHEMBL31661641

SCHEMBL31661641

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccc(F)cc3-c3ccccc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.46
S1PR3 Q99500 3/20 0.45
GPR55 Q9Y2T6 1/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42

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
SCHEMBL31661691 0.91 S1PR1 (0.38) S1PR1NPC1RAB9AL3MBTL1TP53
SCHEMBL31661537 0.90 NPC1 (0.41) S1PR1S1PR3NPC1RAB9AL3MBTL1
SCHEMBL31661770 0.89 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AMAPK1
SCHEMBL31661524 0.89 CA12 (0.39) S1PR1S1PR3NPC1RAB9AL3MBTL1
SCHEMBL31661698 0.88 USP1 (0.38) S1PR1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL31661805 0.88 S1PR1 (0.45) S1PR1NPC1RAB9ATP53TSHR
SCHEMBL31661590 0.87 NPC1 (0.44) S1PR1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL31661573 0.87 PTGS1 (0.41) S1PR1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL31661629 0.87 TP53 (0.41) S1PR1NPC1RAB9AMAPK1TP53
SCHEMBL31661764 0.86 RAB9A (0.43) S1PR1S1PR3NPC1RAB9AL3MBTL1

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