SCHEMBL569461

SCHEMBL569461

Cc1c(C(=O)O)n[nH]c1-c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.56
MDM2 Q00987 4/20 0.47
PKM P14618 1/20 0.46
IKBKE Q14164 1/20 0.43
TYMP P19971 2/20 0.43
HAO2 Q9NYQ3 1/20 0.43
KMO O15229 2/20 0.43
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
PTGER4 P35408 1/20 0.41
NOTUM Q6P988 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
SCHEMBL27658275 0.85 HAO2 (0.54) PIN1HAO2KMOHCAR2
SCHEMBL570062 0.83 PIN1 (0.47) PIN1HAO2HCAR2
SCHEMBL2198685 0.83 IKBKB (0.43) PIN1HAO2HCAR2
SCHEMBL16197762 0.82 ALPL (0.46) TYMPPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14152277 0.80 PIN1 (0.58) PIN1HAO2
SCHEMBL16883789 0.75 ALK (0.48) KMOHCAR2
SCHEMBL4885520 0.74 PRKAB2 (0.43) KMOPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4740858 0.73 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4964605 0.73 HAO2 (0.53) HAO2HCAR2
SCHEMBL13539292 0.72 SMN1; SMN2 (0.50) PIN1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601208-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY Graffinity Pharmaceuticals GmbH (DE) 2013-06-12 EP disclosed
WO-2012017021-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-09 WO disclosed