SCHEMBL17529459

SCHEMBL17529459

Cc1ccc(-c2cc3c4c(cccc4c2)C(=O)NC3=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPSR1 Q6W5P4 2/20 0.56
PARP1 P09874 2/20 0.56
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PARG Q86W56 1/20 0.46
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
EGFR P00533 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
TYMS P04818 1/20 0.38
CASP7 P55210 2/20 0.37
RGS12 O14924 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL17529466 0.86 PARP1 (0.61) MEN1KMT2ANPSR1PARP1PKM
SCHEMBL17529456 0.85 NPSR1 (0.56) MEN1KMT2ANPSR1PARP1PKM
SCHEMBL14463935 0.82 PARP1 (0.66) MEN1KMT2ANPSR1PARP1PKM
SCHEMBL17529458 0.81 NPSR1 (0.52) MEN1KMT2ANPSR1PARP1PKM
SCHEMBL17529461 0.79 NPSR1 (0.54) MEN1KMT2ANPSR1PARP1PKM
SCHEMBL17529463 0.75 NPSR1 (0.49) MEN1KMT2ANPSR1PARP1PKM
SCHEMBL28662829 0.75 NPSR1 (0.55) MEN1KMT2ANPSR1PARP1PKM
SCHEMBL28228756 0.75 PARP1 (0.54) MEN1KMT2ANPSR1PARP1PKM
SCHEMBL2487811 0.74 PARP1 (1.00) MEN1KMT2ANPSR1PARP1PKM
SCHEMBL57038 0.74 PARP1 (1.00) MEN1KMT2ANPSR1PARP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016028225-A1 PLATINUM COMPLEXES AS ANTICANCER AGENTS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-25 WO disclosed