SCHEMBL39978

SCHEMBL39978

CCOC(=O)c1cc(Br)ccc1-c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HTT P42858 1/20 0.51
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRB2 P47870 1/20 0.49
TARBP2 Q15633 1/20 0.48

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
SCHEMBL14198794 0.91 NPC1 (0.46) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL16683423 0.82 MAPT (0.49) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL1577095 0.82 SLC6A3 (0.69) KMT2ARAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL234030 0.82 TSHR (0.60) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL12737920 0.80 SLC6A3 (0.66) MAPTSMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL29571295 0.80 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL17022287 0.80 ALDH1A1 (0.55) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL8158480 0.80 CA12 (0.57) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL288615 0.80 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL6164247 0.80 HTT (0.50) MEN1KMT2ANPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9142782-B2 Organic light-emitting material, device and method CAMBRIDGE DISPLAY TECHNOLOGY, LTD. (GB) 2015-09-22 US disclosed
US-9142782-B2 Organic light-emitting material, device and method CAMBRIDGE DISPLAY TECHNOLOGY, LTD. (GB) 2015-09-22 US disclosed
US-20130200348-A1 ORGANIC LIGHT-EMITTING MATERIAL, DEVICE AND METHOD SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-08-08 US disclosed
US-20130200348-A1 ORGANIC LIGHT-EMITTING MATERIAL, DEVICE AND METHOD SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-08-08 US disclosed
WO-2011161417-A1 ORGANIC LIGHT-EMITTING MATERIAL DEVICE AND METHOD CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2011-12-29 WO disclosed
EP-1558696-B1 NEW METHOD FOR THE PRODUCTION OF MONOMERS USEFUL IN THE MANUFACTURE OF SEMICONDUCTIVE POLYMERS MERCK PATENT GMBH (DE) 2009-09-23 EP disclosed
US-7368616-B2 Method for the production of monomers useful in the manufacture of semiconductive polymers MERCK PATENT GMBH (DE) 2008-05-06 US disclosed