SCHEMBL31661726

SCHEMBL31661726

CN1CCN(c2ccc(Br)cc2-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP1 O94782 4/20 0.41
POLB P06746 2/20 0.39
S1PR1 P21453 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ADRB2 P07550 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
STAT3 P40763 1/20 0.36

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
SCHEMBL31661724 0.94 USP1 (0.41) USP1POLBS1PR1ADRB2SMN1; SMN2
SCHEMBL31661695 0.93 S1PR1 (0.46) USP1POLBS1PR1SMN1; SMN2
SCHEMBL31661671 0.92 S1PR1 (0.47) USP1POLBS1PR1SMN1; SMN2
SCHEMBL31661739 0.87 NPC1 (0.36) S1PR1HDAC8HDAC6HTTSMN1; SMN2
SCHEMBL31661787 0.84 USP1 (0.44) USP1S1PR1ALDH1A1SMN1; SMN2
SCHEMBL31661802 0.84 NPC1 (0.43) S1PR1ALDH1A1HTTSMN1; SMN2
SCHEMBL31661564 0.82 MEN1 (0.44) USP1POLBS1PR1ALDH1A1HTT
SCHEMBL31661762 0.81 NR1H4 (0.50) S1PR1ALDH1A1SMN1; SMN2
SCHEMBL31661744 0.81 NR1H4 (0.50) S1PR1ALDH1A1SMN1; SMN2
SCHEMBL31661659 0.79 LMNA (0.55) S1PR1ALDH1A1HTTSMN1; 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