SCHEMBL2457572

SCHEMBL2457572

O=C1c2ccc(Cl)cc2C(=O)C2C=CC(Cl)=CC12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT1 Q99873 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
S100A4 P26447 2/20 0.41
PPOX P50336 1/20 0.38
PTPN11 Q06124 1/20 0.36
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
CES1 P23141 2/20 0.32
TGM2 P21980 1/20 0.32
METAP1 P53582 2/20 0.31
CYP19A1 P11511 1/20 0.31
CHEK1 O14757 1/20 0.30
DAPK3 O43293 1/20 0.30
MAP4K4 O95819 1/20 0.30
RET P07949 1/20 0.30
PIM1 P11309 1/20 0.30
LTK P29376 1/20 0.30

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
SCHEMBL3715309 0.82 S100A4 (0.43) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL9641853 0.70 S100A4 (0.56) S100A4PPOXPTPN11HSP90AA1RAB9A
SCHEMBL9576071 0.69 S100A4 (0.52) S100A4PPOXPTPN11HSP90AA1RAB9A
SCHEMBL13316461 0.67 ESR2 (0.41) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL6727229 0.67 S100A4 (0.41) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL9164065 0.65 S100A4 (0.47) S100A4PPOXHSP90AA1RAB9ACES1
SCHEMBL31199232 0.65 S100A4 (0.52) S100A4PPOXHSP90AA1RAB9ACES1
SCHEMBL31199227 0.65 S100A4 (0.47) S100A4PPOXHSP90AA1RAB9ACES1
SCHEMBL14939892 0.63 RAB9A (0.67) S100A4PPOXRAB9ACYP19A1
SCHEMBL13575005 0.63 S100A4 (0.34) S100A4METAP1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273404-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-04-30 US disclosed
US-20120326602-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-27 US disclosed
WO-2011110276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-15 WO disclosed