SCHEMBL31661583

SCHEMBL31661583

COc1ccc(-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)c(N2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.47
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
HSD17B10 Q99714 3/20 0.41
USP1 O94782 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
MAPT P10636 4/20 0.40

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
SCHEMBL31661564 0.92 MEN1 (0.44) S1PR1KDM4ETDP1SMN1; SMN2TP53
SCHEMBL31661757 0.88 HTR3A (0.40) S1PR1KDM4ETDP1SMN1; SMN2TP53
SCHEMBL31661611 0.86 NPC1 (0.41) S1PR1KDM4ETDP1SMN1; SMN2TP53
SCHEMBL31661554 0.86 SMN1; SMN2 (0.40) S1PR1KDM4ETDP1SMN1; SMN2TP53
SCHEMBL31661825 0.85 SMN1; SMN2 (0.39) S1PR1KDM4ETDP1SMN1; SMN2TP53
SCHEMBL31661688 0.85 SMN1; SMN2 (0.39) S1PR1KDM4ETDP1SMN1; SMN2TP53
SCHEMBL31661780 0.84 NPC1 (0.52) S1PR1KDM4ETDP1SMN1; SMN2TP53
SCHEMBL31661794 0.83 S1PR1 (0.41) S1PR1KDM4ETDP1SMN1; SMN2TP53
SCHEMBL31661671 0.82 S1PR1 (0.47) S1PR1KDM4ETDP1SMN1; SMN2USP1
SCHEMBL31661494 0.81 USP1 (0.42) S1PR1SMN1; SMN2TP53NFKB1NFKB2

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