SCHEMBL31661739

SCHEMBL31661739

CC1CN(c2ccc(Br)cc2-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)CC(C)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 8/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
TP53 P04637 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL31661726 0.87 USP1 (0.41) S1PR1SMN1; SMN2HTTHDAC6HDAC8
SCHEMBL31661695 0.87 S1PR1 (0.46) S1PR1SMN1; SMN2TP53RXFP1NFKB1
SCHEMBL31661671 0.86 S1PR1 (0.47) S1PR1SMN1; SMN2KDM4E
SCHEMBL31661611 0.83 NPC1 (0.41) NPC1RAB9AMEN1ALOX12KMT2A
SCHEMBL31661802 0.81 NPC1 (0.43) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL31661724 0.80 USP1 (0.41) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL31661744 0.79 NR1H4 (0.50) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL31661762 0.79 NR1H4 (0.50) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL31661790 0.77 NPC1 (0.43) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL31661659 0.77 LMNA (0.55) NPC1RAB9AMEN1KMT2AS1PR1

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