SCHEMBL5285233

SCHEMBL5285233

CC(C)(C)c1cccc(-c2ccc3c4c(cccc24)C(=O)NC3=O)c1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
POLB P06746 4/20 0.50
PARP1 P09874 3/20 0.50
USP2 O75604 3/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RGS12 O14924 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
APEX1 P27695 1/20 0.50
BRCA1 P38398 1/20 0.50
MTOR P42345 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
GNAI1 P63096 1/20 0.50

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
SCHEMBL5285230 0.86 PARP1 (0.41) MEN1KMT2APOLBPARP1USP2
SCHEMBL23563365 0.83 MEN1 (0.57) MEN1KMT2APOLBPARP1USP2
SCHEMBL27944108 0.81 PARP1 (0.49) MEN1KMT2APOLBPARP1USP2
SCHEMBL4461655 0.75 CA2 (0.50) NPSR1CYP1A2MAPTCYP2C9TDP1
SCHEMBL28139292 0.75 MEN1 (0.53) MEN1KMT2APOLBPARP1USP2
SCHEMBL28156827 0.74 ALDH1A1 (0.42) CYP1A2CYP3A4MAPTTHRBTDP1
SCHEMBL14707342 0.71 CDK5 (0.57) MEN1KMT2APOLBUSP2CASP1
SCHEMBL9968963 0.71 MEN1 (0.62) MEN1KMT2APOLBPARP1USP2
SCHEMBL2156113 0.71 KDM4E (0.47) MEN1KMT2APOLBPARP1USP2
SCHEMBL28261613 0.70 PARP1 (0.57) MEN1KMT2APOLBPARP1USP2

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
WO-2007007117-A1 CONDUCTIVE POLYMER COMPOSITIONS IN OPTO-ELECTRICAL DEVICES CDT OXFORD LIMITED (GB) 2007-01-18 WO disclosed
WO-2005117161-A2 ELECTROLUMINISCENT METAL COMPLEXES CONTAINING A LIGAND THAT IS COORDINATED TO THE METAL VIA A PHOSPHOROUS ATOM CDT OXFORD LIMITED (GB) 2005-12-08 WO disclosed
WO-2005117160-A1 METAL COMPLEXES FOR LIGHT-EMITTING DEVICES CDT OXFORD LIMITED (GB) 2005-12-08 WO disclosed
WO-2005117159-A1 LIGHT-EMITTING DEVICE COMPRISING METAL COMPLEXES WITH BIPHOSPHININE LIGANDAS CDT OXFORD LIMITED (GB) 2005-12-08 WO disclosed