SCHEMBL325218

SCHEMBL325218

O=C1Nc2cc3c(cc2C1c1ccc(Br)cc1)NC(=O)C3c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.53
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
IDO1 P14902 1/20 0.38
BRD4 O60885 1/20 0.37
POLB P06746 2/20 0.36
PSMD14 O00487 1/20 0.36
USP2 O75604 1/20 0.36
PLA2G1B P04054 1/20 0.36
MMP2 P08253 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NQO2 P16083 1/20 0.35
RAB9A P51151 1/20 0.35
KDM1A O60341 4/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL10076595 0.92 HAO1 (0.46) HAO1MEN1KMT2ANPC1GAA
SCHEMBL6328302 0.82 HAO1 (0.50) HAO1MEN1KMT2ANPC1GAA
SCHEMBL29242341 0.80 HAO1 (0.42) HAO1MEN1KMT2ABRD4POLB
SCHEMBL27965965 0.80 NQO2 (0.44) HAO1MEN1KMT2AGAABRD4
SCHEMBL30965340 0.80 TP53 (0.48) HAO1KMT2ABRD4POLBTP53
SCHEMBL29242344 0.80 TP53 (0.48) HAO1KMT2ABRD4POLBTP53
SCHEMBL31579572 0.76 HAO1 (0.59) HAO1MEN1KMT2ANPC1GAA
SCHEMBL15714818 0.75 HAO1 (0.50) HAO1MEN1KMT2ANPC1GAA
SCHEMBL3965995 0.71 CACNB4 (0.41) TP53RAB9ACES1
SCHEMBL30965336 0.71 BRD4 (0.47) MEN1KMT2ANPC1GAABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9287504-B2 Semiconducting polymers MERCK PATENT GMBH (DE) 2016-03-15 US disclosed
US-9287504-B2 Semiconducting polymers MERCK PATENT GMBH (DE) 2016-03-15 US disclosed
EP-2591038-B1 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2014-11-05 EP disclosed
EP-2591038-B1 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2014-11-05 EP disclosed
US-20130175481-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
US-20130175481-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
US-20130175481-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
EP-2591038-A1 SEMICONDUCTING POLYMERS Merck Patent GmbH (DE) 2013-05-15 EP disclosed
WO-2012003918-A1 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed
WO-2012003918-A1 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed