SCHEMBL31412652

SCHEMBL31412652

O=C(O)c1cc(-c2ccnnc2)n[nH]1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.65
ALPL P05186 12/20 0.61
CA12 O43570 5/20 0.61
RPA1 P27694 1/20 0.59
CA9 Q16790 3/20 0.56
PIN1 Q13526 1/20 0.54
HPGDS O60760 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MARS1 P56192 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL222852 0.83 TP53 (0.74) TP53ALPLCA12RPA1CA9
Hydrochloric Acid SCHEMBL27639048 0.81 TP53 (0.72) TP53ALPLCA12RPA1CA9
SCHEMBL726574 0.79 TP53 (1.00) TP53ALPLCA12RPA1CA9
SCHEMBL1816813 0.79 TP53 (0.73) TP53ALPLCA12RPA1CA9
SCHEMBL31412612 0.78 ALPL (0.66) TP53ALPLCA12CA9HPGDS
SCHEMBL27639046 0.76 ALPL (0.63) TP53ALPLCA12RPA1CA9
SCHEMBL23780339 0.76 TP53 (0.64) TP53ALPLCA12RPA1CA9
SCHEMBL1414100 0.76 ALPL (1.00) TP53ALPLCA12RPA1CA9
SCHEMBL3447352 0.75 ALPL (1.00) TP53ALPLCA12RPA1CA9
SCHEMBL645330 0.75 ALPL (1.00) TP53ALPLCA12RPA1CA9

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-2025045746-A1 PYRAZOLE DERIVATIVES AS SARM1 INHIBITORS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2025-03-06 WO disclosed