SCHEMBL2303754

SCHEMBL2303754

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 9/20 0.67
PTGFR P43088 2/20 0.44
GABBR2 O75899 3/20 0.44
GABBR1 Q9UBS5 3/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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 SCHEMBL655606 0.99 PRKCZ (0.66) PRKCZPTGFRGABBR2GABBR1LMNA
SCHEMBL2303141 0.93 PRKCZ (0.64) PRKCZPTGFRGABBR2GABBR1LMNA
Hydrochloric Acid SCHEMBL658550 0.92 PRKCZ (0.62) PRKCZPTGFRGABBR2GABBR1LMNA
SCHEMBL2303759 0.91 PRKCZ (0.77) PRKCZPTGFRGABBR2GABBR1LMNA
SCHEMBL659483 0.91 PRKCZ (0.72) PRKCZGABBR2GABBR1LMNACYP2C9
Hydrochloric Acid SCHEMBL657199 0.90 PRKCZ (0.71) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL657599 0.87 PRKCZ (0.67) PRKCZPTGFRGABBR2GABBR1LMNA
SCHEMBL2303557 0.87 PRKCZ (0.84) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL2303149 0.87 PRKCZ (0.77) PRKCZPTGFRGABBR2GABBR1LMNA
SCHEMBL2302664 0.87 PRKCZ (0.67) PRKCZGABBR2GABBR1LMNACYP2C9

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