SCHEMBL10076541

SCHEMBL10076541

O=C(Nc1ccc(NC(=O)C(O)c2ccc(Br)cc2)cc1)C(O)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
S1PR3 Q99500 1/20 0.59
CNR1 P21554 5/20 0.56
FPR2 P25090 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
EPHX1 P07099 1/20 0.47
F13A1 P00488 1/20 0.47
LMNA P02545 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
TGM3 Q08188 1/20 0.47
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL31202714 0.92 MAPT (0.58) MEN1KMT2AS1PR3CNR1POLB
SCHEMBL31202661 0.92 MEN1 (0.53) MEN1KMT2AS1PR3CNR1FPR2
SCHEMBL31202603 0.91 MEN1 (0.63) MEN1KMT2AS1PR3CNR1FPR2
SCHEMBL3095661 0.87 EPHX2 (0.51) MEN1KMT2AS1PR3CNR1ALDH1A1
SCHEMBL8029078 0.82 CYP1A2 (0.50) MEN1KMT2AS1PR3CNR1FPR2
SCHEMBL29521778 0.81 ALDH1A1 (0.52) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL11588542 0.80 POLB (0.62) MEN1KMT2AS1PR3POLBALDH1A1
SCHEMBL31202570 0.80 MAPT (0.55) MEN1KMT2AS1PR3ALDH1A1NPC1
SCHEMBL28575872 0.78 MEN1 (0.57) MEN1KMT2AS1PR3CNR1FPR2
SCHEMBL28589184 0.78 MEN1 (0.57) MEN1KMT2AS1PR3CNR1FPR2

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 8 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
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
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