SCHEMBL9957653

SCHEMBL9957653

Cc1cccc(C)c1-c1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.42
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 4/20 0.36
HPGDS O60760 1/20 0.36
POLB P06746 2/20 0.36
PIN1 Q13526 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
MTOR P42345 1/20 0.35
ADK P55263 1/20 0.35

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
SCHEMBL1316464 0.87 RPS6KA3 (0.40) RPS6KA3KMT2AMEN1KDM4EALDH1A1
SCHEMBL17472957 0.87 POLB (0.37) RPS6KA3TNKSPARP1TNKS2KMT2A
SCHEMBL7139325 0.83 IDO1 (0.42) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL7142089 0.82 TNKS (0.39) TNKSPARP1TNKS2KMT2AMEN1
SCHEMBL17279780 0.80 MEN1 (0.43) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL3137293 0.79 GUSB (0.40) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL15029191 0.79 IDO1 (0.47) KMT2AMEN1KDM4EALDH1A1RAB9A
SCHEMBL528246 0.79 MEN1 (0.46) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL7144815 0.77 NR1H2 (0.51) TNKSPARP1TNKS2KMT2AMEN1
SCHEMBL7144979 0.77 NR1H2 (0.51) TNKSPARP1TNKS2KMT2AMEN1

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-2665735-A1 PREPARATION OF A FAC-ISOMER FOR A TRIS HOMOLEPTIC METAL COMPLEX SOLVAY SA (BE) 2013-11-27 EP disclosed
WO-2012084219-A1 PREPARATION OF A FAC-ISOMER FOR A TRIS HOMOLEPTIC METAL COMPLEX SOLVAY SA (BE) 2012-06-28 WO disclosed