SCHEMBL31661565

SCHEMBL31661565

COc1ccc(-c2cc(F)ccc2-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 2/20 0.46
S1PR1 P21453 4/20 0.46
TSHR P16473 4/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 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
SCHEMBL31661543 0.94 S1PR1 (0.45) THRBKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL31661668 0.88 SMN1; SMN2 (0.49) THRBHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL31661774 0.88 TP53 (0.51) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL31661582 0.87 USP1 (0.46) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL31661691 0.87 S1PR1 (0.38) THRBKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL31661537 0.86 NPC1 (0.41) THRBKDM4EMEN1KMT2ANPSR1
SCHEMBL31661641 0.86 S1PR1 (0.46) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL31661573 0.85 PTGS1 (0.41) THRBMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL31661770 0.85 S1PR1 (0.43) THRBKDM4EMEN1KMT2ANPSR1
SCHEMBL31661680 0.84 NPC1 (0.38) THRBMEN1KMT2ANPSR1SMN1; SMN2

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