SCHEMBL5285230

SCHEMBL5285230

CC(C)(C)c1cccc(-c2cccc3c4c(ccc23)C(=O)NC4=O)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP7 P55210 2/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 2/20 0.41
RGS12 O14924 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
APEX1 P27695 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
MTOR P42345 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
GNAI1 P63096 1/20 0.41
HBB P68871 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
SCHEMBL5285233 0.86 MEN1 (0.50) PARP1MEN1KMT2ACASP7POLB
SCHEMBL2156113 0.78 KDM4E (0.47) PARP1MEN1KMT2ACASP7POLB
SCHEMBL27944108 0.78 PARP1 (0.49) PARP1MEN1KMT2ACASP7POLB
SCHEMBL1860679 0.77 PARP1 (0.40) PARP1MEN1KMT2ACASP7CYP3A4
Bicarbonate SCHEMBL23581765 0.73 KDM4E (0.50) PARP1MEN1KMT2ACASP7POLB
SCHEMBL4461655 0.73 CA2 (0.50) CYP1A2MAPTCYP2C9NPSR1TDP1
SCHEMBL23563365 0.71 MEN1 (0.57) PARP1MEN1KMT2ACASP7POLB
SCHEMBL8827920 0.69 KDM4E (0.45) PARP1MEN1KMT2ACASP7POLB
SCHEMBL28156827 0.69 ALDH1A1 (0.42) CYP1A2CYP3A4MAPTTHRBTDP1
SCHEMBL29212759 0.69 KDM4E (0.49) MEN1KMT2ACASP7POLBKDM4E

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