SCHEMBL31487285

SCHEMBL31487285

O=[N+]([O-])c1ccc2c(NCc3ccccc3)nc(Cl)nn12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 1/20 0.44
PDE5A O76074 2/20 0.44
APP P05067 1/20 0.44
HTT P42858 2/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EGFR P00533 2/20 0.40
CDK1 P06493 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL30948905 0.81 PDE5A (0.51) MAPTKDM4EPDE5AAPPLMNA
SCHEMBL30948919 0.79 APP (0.49) MAPTKDM4EPDE5AAPPLMNA
SCHEMBL30948921 0.79 PDE5A (0.49) MAPTKDM4EPDE5AAPPLMNA
SCHEMBL31487219 0.79 APP (0.44) KDM4EPDE5AAPPHTTLMNA
SCHEMBL31487415 0.78 PDE5A (0.46) MAPTKDM4EPDE5AAPPHPGD
SCHEMBL31487322 0.78 PDE5A (0.48) MAPTPDE5AAPPHPGDALDH1A1
SCHEMBL31487162 0.75 CDK1 (0.46) MAPTKDM4EPDE5AAPPCDK1
SCHEMBL31487263 0.74 F2 (0.45) KDM4EPDE5AAPPHPGDALDH1A1
SCHEMBL31487047 0.74 APP (0.44) MAPTKDM4EPDE5AAPPLMNA
SCHEMBL25178502 0.73 ALDH1A1 (0.31) ALDH1A1

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-2025074096-A1 P97 (VCP) ATPASE INHIBITORS Turbine Simulated Cell Technologies Ltd (GB) 2025-04-10 WO disclosed