SCHEMBL2302338

SCHEMBL2302338

O=C(O)CC(c1ccc(Cl)cc1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 6/20 0.46
GAA P10253 1/20 0.45
KEAP1 Q14145 2/20 0.44
HSD17B10 Q99714 2/20 0.43
RAB9A P51151 1/20 0.43
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
CYP2C9 P11712 3/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
NFKB1 P19838 1/20 0.41
DRD3 P35462 1/20 0.41
BLM P54132 1/20 0.41
THRB P10828 1/20 0.41

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
Hydrochloric Acid SCHEMBL658248 0.99 PRKCZ (0.45) PRKCZGAAKEAP1HSD17B10RAB9A
SCHEMBL2302345 0.90 PRKCZ (0.57) PRKCZGAAKEAP1HSD17B10RAB9A
SCHEMBL658905 0.85 F9 (0.43) PRKCZGAAHSD17B10RAB9ALMNA
SCHEMBL5794188 0.83 SCN10A (0.45) PRKCZHSD17B10RAB9AKMT2ACYP1A2
SCHEMBL659483 0.79 PRKCZ (0.72) PRKCZHSD17B10RAB9AGABBR2GABBR1
SCHEMBL2356966 0.78 PRKCZ (0.43) PRKCZHSD17B10RAB9ALMNATSHR
Hydrochloric Acid SCHEMBL657199 0.78 PRKCZ (0.71) PRKCZHSD17B10RAB9AGABBR2GABBR1
Hydrochloric Acid SCHEMBL657578 0.77 PRKCZ (0.42) PRKCZHSD17B10RAB9ACYP2C9LMNA
SCHEMBL658906 0.75 SIRT2 (0.47) PRKCZHSD17B10RAB9ACYP1A2F9
SCHEMBL5109491 0.75 SCN10A (0.57) GAAHSD17B10RAB9ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP claimed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO claimed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed