SCHEMBL31661802

SCHEMBL31661802

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3cc(Br)ccc3F)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
NFKB1 P19838 5/20 0.43
NFKB2 Q00653 5/20 0.43
RELA Q04206 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
S1PR1 P21453 4/20 0.40
TP53 P04637 4/20 0.39
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPK1 P28482 2/20 0.38
PKM P14618 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL31661790 0.93 NPC1 (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661744 0.87 NR1H4 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661762 0.87 NR1H4 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661659 0.84 LMNA (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661726 0.84 USP1 (0.41) SMN1; SMN2HTTS1PR1ALDH1A1
SCHEMBL31661695 0.84 S1PR1 (0.46) SMN1; SMN2NFKB1NFKB2RELAL3MBTL1
SCHEMBL31661764 0.83 RAB9A (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661671 0.83 S1PR1 (0.47) SMN1; SMN2S1PR1NPSR1KDM4E
SCHEMBL31661552 0.82 USP1 (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661780 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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