SCHEMBL2303471

SCHEMBL2303471

O=C(O)CC(Cc1nc2cc(I)ccc2[nH]1)c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 9/20 0.67
PIN1 Q13526 3/20 0.37
ALDH1A1 P00352 1/20 0.35
CHRM1 P11229 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34

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 SCHEMBL657830 0.99 PRKCZ (0.66) PRKCZPIN1ALDH1A1CHRM1KDM4E
SCHEMBL2303477 0.91 PRKCZ (0.80) PRKCZPIN1
SCHEMBL2302318 0.90 PRKCZ (0.67) PRKCZPIN1CHRM1KDM4EHTT
SCHEMBL2303557 0.89 PRKCZ (0.84) PRKCZPIN1KDM4E
Hydrochloric Acid SCHEMBL659490 0.89 PRKCZ (0.66) PRKCZPIN1CHRM1KDM4E
Hydrochloric Acid SCHEMBL657562 0.88 PRKCZ (0.82) PRKCZPIN1KDM4E
SCHEMBL2303024 0.88 PRKCZ (0.66) PRKCZPIN1CHRM1KDM4EITGB3
Hydrochloric Acid SCHEMBL657731 0.87 PRKCZ (0.65) PRKCZPIN1CHRM1KDM4E
SCHEMBL3049275 0.86 PRKCZ (0.85) PRKCZPIN1
Hydrochloric Acid SCHEMBL3043514 0.85 PRKCZ (0.83) 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