SCHEMBL2303676

SCHEMBL2303676

O=C(O)CC(Cc1nc2cc(Cl)ccc2[nH]1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 9/20 0.79
PRKAG1 P54619 3/20 0.47
PRKAA2 P54646 3/20 0.47
PRKAB1 Q9Y478 3/20 0.47
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 1/20 0.44
PIN1 Q13526 3/20 0.43
GABBR2 O75899 3/20 0.40
GABBR1 Q9UBS5 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD3 P35462 1/20 0.40
BLM P54132 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40

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 SCHEMBL657365 0.99 PRKCZ (0.77) PRKCZPRKAG1PRKAA2PRKAB1KDM4E
SCHEMBL2301688 0.95 PRKCZ (0.84) PRKCZPRKAG1PRKAA2PRKAB1KDM4E
Hydrochloric Acid SCHEMBL655850 0.94 PRKCZ (0.83) PRKCZPRKAG1PRKAA2PRKAB1KDM4E
SCHEMBL2304297 0.93 PRKCZ (0.68) PRKCZPRKAG1PRKAA2PRKAB1KDM4E
Hydrochloric Acid SCHEMBL657315 0.92 PRKCZ (0.67) PRKCZPRKAG1PRKAA2PRKAB1KDM4E
SCHEMBL659483 0.92 PRKCZ (0.72) PRKCZPRKAG1PRKAA2PRKAB1KDM4E
SCHEMBL655698 0.92 PRKCZ (0.67) PRKCZPRKAG1PRKAA2PRKAB1KDM4E
SCHEMBL2303682 0.91 PRKCZ (0.90) PRKCZPRKAG1PRKAA2PRKAB1KDM4E
Hydrochloric Acid SCHEMBL657199 0.91 PRKCZ (0.71) PRKCZPRKAG1PRKAA2PRKAB1KDM4E
SCHEMBL2301693 0.88 PRKCZ (1.00) PRKCZPRKAG1PRKAA2PRKAB1KDM4E

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