SCHEMBL31661707

SCHEMBL31661707

COc1ccc(-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)c(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.37
HDAC6 Q9UBN7 3/20 0.37
JAK1 P23458 1/20 0.37
MAPT P10636 3/20 0.36
GPR119 Q8TDV5 2/20 0.36
RET P07949 1/20 0.36
S1PR1 P21453 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL31661825 0.83 SMN1; SMN2 (0.39) MAPTS1PR1MEN1KMT2ATP53
SCHEMBL31661688 0.83 SMN1; SMN2 (0.39) MAPTS1PR1MEN1KMT2ATP53
SCHEMBL31661611 0.83 NPC1 (0.41) MAPTS1PR1MEN1KMT2ATP53
SCHEMBL31661554 0.83 SMN1; SMN2 (0.40) MAPTS1PR1MEN1KMT2ATP53
SCHEMBL31661564 0.82 MEN1 (0.44) MAPTS1PR1MEN1KMT2ATP53
SCHEMBL31661583 0.82 S1PR1 (0.47) MAPTS1PR1MEN1KMT2ATP53
SCHEMBL31661757 0.79 HTR3A (0.40) MAPTS1PR1MEN1KMT2ATP53
SCHEMBL31661584 0.77 NR1H4 (0.37) MAPTS1PR1MEN1KMT2ATP53
SCHEMBL31661780 0.76 NPC1 (0.52) MAPTS1PR1MEN1KMT2ATP53
SCHEMBL31661794 0.74 S1PR1 (0.41) MAPTS1PR1MEN1KMT2ATP53

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