SCHEMBL31661744

SCHEMBL31661744

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
S1PR1 P21453 5/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL31661762 1.00 NR1H4 (0.50) NR1H4LMNATHRBRAB9ANPC1
SCHEMBL31661659 0.95 LMNA (0.55) NR1H4LMNATHRBRAB9ANPC1
SCHEMBL31661802 0.87 NPC1 (0.43) NR1H4LMNATHRBRAB9ANPC1
SCHEMBL22165856 0.87 PTGS2 (0.44) KDM4ETP53
SCHEMBL31661790 0.85 NPC1 (0.43) NR1H4LMNATHRBRAB9ANPC1
SCHEMBL31661798 0.83 CASP3 (0.44) NR1H4LMNATHRBRAB9ANPC1
SCHEMBL31661764 0.82 RAB9A (0.43) LMNATHRBRAB9ANPC1MEN1
SCHEMBL31661653 0.81 USP1 (0.52) LMNATHRBRAB9ANPC1MEN1
SCHEMBL31661677 0.81 USP1 (0.52) LMNATHRBRAB9ANPC1MEN1
SCHEMBL31661587 0.79 SMN1; SMN2 (0.56) LMNATHRBRAB9ANPC1MEN1

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