SCHEMBL31487263

SCHEMBL31487263

COC(=O)c1ccc2c(NCc3ccccc3)nc(Cl)nn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
APP P05067 2/20 0.42
PDE5A O76074 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CDK1 P06493 2/20 0.41
DRD2 P14416 1/20 0.41
TBXA2R P21731 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ACHE P22303 1/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PPARG P37231 1/20 0.39
CYP1A2 P05177 1/20 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
SCHEMBL31487219 0.88 APP (0.44) F2KDM4EALDH1A1HPGDCRHBP
SCHEMBL31487047 0.84 APP (0.44) KDM4EALDH1A1APPPDE5ACDK1
SCHEMBL30948919 0.79 APP (0.49) KDM4EALDH1A1HPGDAPPPDE5A
SCHEMBL30948905 0.79 PDE5A (0.51) KDM4EALDH1A1HPGDAPPPDE5A
SCHEMBL31487162 0.78 CDK1 (0.46) KDM4EAPPPDE5ACDK1ACHE
SCHEMBL30948921 0.77 PDE5A (0.49) KDM4EALDH1A1HPGDAPPPDE5A
SCHEMBL31487415 0.76 PDE5A (0.46) KDM4EALDH1A1HPGDAPPPDE5A
SCHEMBL31487322 0.76 PDE5A (0.48) ALDH1A1HPGDAPPPDE5ACDK1
SCHEMBL31487285 0.74 MAPT (0.44) KDM4EALDH1A1HPGDAPPPDE5A
SCHEMBL1609559 0.73 PDE5A (0.51) F2KDM4EALDH1A1HPGDCRHBP

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