SCHEMBL31487322

SCHEMBL31487322

Clc1nc(NCc2ccccc2)c2ccc(-c3ccccc3)n2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.48
APP P05067 1/20 0.48
ESR1 P03372 3/20 0.45
CDK1 P06493 2/20 0.43
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GBA1 P04062 1/20 0.41
ATM Q13315 1/20 0.41
PLK1 P53350 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
CSF1R P07333 1/20 0.39
MAPT P10636 1/20 0.38
MAT2A P31153 1/20 0.38

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
SCHEMBL31487103 0.89 PDE5A (0.43) PDE5AAPPESR1CDK1TP53
SCHEMBL30948905 0.85 PDE5A (0.51) PDE5AAPPESR1CDK1TP53
SCHEMBL30948919 0.83 APP (0.49) PDE5AAPPESR1CDK1TP53
SCHEMBL30948921 0.83 PDE5A (0.49) PDE5AAPPESR1CDK1TP53
SCHEMBL31487415 0.80 PDE5A (0.46) PDE5AAPPESR1CDK1RXFP1
SCHEMBL26605845 0.80 CDK1 (0.50) PDE5AAPPESR1CDK1TP53
SCHEMBL31487162 0.79 CDK1 (0.46) PDE5AAPPESR1CDK1MAPT
SCHEMBL31487219 0.78 APP (0.44) PDE5AAPPESR1CDK1ATM
SCHEMBL31487285 0.78 MAPT (0.44) PDE5AAPPCDK1KMT2AMEN1
SCHEMBL31487047 0.78 APP (0.44) PDE5AAPPESR1CDK1KMT2A

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