SCHEMBL16740658

SCHEMBL16740658

Nc1ccc(C2=NN(c3ccc(Cl)cc3)C(c3ccc(O)cc3)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 12/20 1.00
CA12 O43570 3/20 0.73
CA9 Q16790 3/20 0.73
MAOA P21397 2/20 0.63
MAOB P27338 2/20 0.63
MEN1 O00255 1/20 0.59
HSP90AA1 P07900 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59
PTGS2 P35354 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57

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
SCHEMBL27955197 0.87 PRKCZ (0.90) PRKCZCA12CA9MAOAMAOB
SCHEMBL9628590 0.87 PRKCZ (1.00) PRKCZCA12CA9MAOAMAOB
SCHEMBL23962450 0.78 MEN1 (0.82) PRKCZCA12CA9MAOAMAOB
SCHEMBL16740593 0.78 PRKCZ (1.00) PRKCZCA12CA9MAOAMAOB
SCHEMBL16740663 0.78 PRKCZ (1.00) PRKCZCA12CA9MAOAMAOB
SCHEMBL11124158 0.77 MEN1 (0.68) PRKCZCA12CA9MAOAMAOB
SCHEMBL8373384 0.77 PRKCZ (0.82) PRKCZCA12CA9MAOBMEN1
SCHEMBL8179557 0.77 MEN1 (0.82) PRKCZCA12CA9MAOAMAOB
SCHEMBL554670 0.77 EGFR (0.74) PRKCZMAOBMEN1HSP90AA1GAA
SCHEMBL3896190 0.77 PRKCZ (0.82) PRKCZMAOAMAOBMEN1KMT2A

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-2015075051-A1 ALLOSTERIC INHIBITORS OF ATYPICAL PROTEIN KINASES C UNIVERSITAET DES SAARLANDES (DE) 2015-05-28 WO disclosed