SCHEMBL31661780

SCHEMBL31661780

COc1ccc(-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.52
RAB9A P51151 9/20 0.52
MAPT P10636 9/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
TP53 P04637 4/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR1H4 Q96RI1 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 1/20 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
SCHEMBL31661551 0.91 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL31661774 0.86 TP53 (0.51) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL31661618 0.85 HSD11B1 (0.47) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL31661564 0.84 MEN1 (0.44) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL31661583 0.84 S1PR1 (0.47) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL31661554 0.82 SMN1; SMN2 (0.40) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL31661611 0.82 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL25729010 0.81 AMY1A (0.42) ALDH1A1KDM4EHSD17B10HPGDPTGS1
SCHEMBL31661543 0.81 S1PR1 (0.45) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL31661659 0.80 LMNA (0.55) NPC1RAB9AMAPTSMN1; SMN2TP53

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