SCHEMBL2304885

SCHEMBL2304885

O=C(O)CC(Cc1nc2cc(I)ccc2[nH]1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 9/20 0.84
PRKAG1 P54619 4/20 0.41
PRKAA2 P54646 4/20 0.41
PRKAB1 Q9Y478 4/20 0.41
PRKAA1 Q13131 1/20 0.41
PIN1 Q13526 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNA1G O43497 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
TACR2 P21452 1/20 0.33

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 SCHEMBL658399 0.99 PRKCZ (0.83) PRKCZPRKAG1PRKAA2PRKAB1PRKAA1
SCHEMBL2304890 0.92 PRKCZ (1.00) PRKCZPRKAG1PRKAA2PRKAB1PRKAA1
SCHEMBL2303912 0.89 PRKCZ (0.84) PRKCZPRKAG1PRKAA2PRKAB1PRKAA1
SCHEMBL2303557 0.89 PRKCZ (0.84) PRKCZPRKAG1PRKAA2PRKAB1PRKAA1
Hydrochloric Acid SCHEMBL657562 0.88 PRKCZ (0.82) PRKCZPRKAG1PRKAA2PRKAB1PRKAA1
Hydrochloric Acid SCHEMBL657231 0.88 PRKCZ (0.82) PRKCZPRKAG1PRKAA2PRKAB1PRKAA1
SCHEMBL2302390 0.86 PRKCZ (0.66) PRKCZPRKAG1PRKAA2PRKAB1PIN1
SCHEMBL2302318 0.85 PRKCZ (0.67) PRKCZPIN1KDM4E
Hydrochloric Acid SCHEMBL657205 0.85 PRKCZ (0.65) PRKCZPRKAG1PRKAA2PRKAB1PIN1
SCHEMBL2301731 0.85 PRKCZ (0.62) PRKCZPIN1KDM4E

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