SCHEMBL31661704

SCHEMBL31661704

COc1ccc(-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3C)no2)c(N2CCCNCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.39
S1PR1 P21453 7/20 0.39
HTR3A P46098 3/20 0.38
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
HTR2B P41595 2/20 0.38
HTR1D P28221 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
NR1H4 Q96RI1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL31661757 0.93 HTR3A (0.40) PLATS1PR1HTR3AHTR1AHTR7
SCHEMBL31661794 0.89 S1PR1 (0.41) S1PR1HTR3AHTR1AHTR1DHTR3E
SCHEMBL31661584 0.84 NR1H4 (0.37) PLATS1PR1NR1H4KDM4EALDH1A1
SCHEMBL31661564 0.82 MEN1 (0.44) S1PR1NR1H4KDM4EALDH1A1HPGD
SCHEMBL31661551 0.82 NPC1 (0.44) S1PR1NR1H4KDM4EALDH1A1HPGD
SCHEMBL31661583 0.81 S1PR1 (0.47) S1PR1NR1H4KDM4EALDH1A1HPGD
SCHEMBL31661611 0.79 NPC1 (0.41) S1PR1NR1H4KDM4EALDH1A1HPGD
SCHEMBL31661688 0.77 SMN1; SMN2 (0.39) PLATS1PR1NR1H4KDM4EALDH1A1
SCHEMBL31661825 0.77 SMN1; SMN2 (0.39) PLATS1PR1NR1H4KDM4EALDH1A1
SCHEMBL31661554 0.77 SMN1; SMN2 (0.40) S1PR1NR1H4KDM4EALDH1A1HPGD

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