SCHEMBL992672

SCHEMBL992672

CC(C)(C)c1ccc(N(c2ccc(Br)cc2)c2ccc(C=Cc3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
GPR183 P32249 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38

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
SCHEMBL801380 1.00 CYP1A2 (0.44) CYP1A2ALDH1A1RAB9AKDM4EHPGD
SCHEMBL4624190 1.00 CYP1A2 (0.44) CYP1A2ALDH1A1RAB9AKDM4EHPGD
SCHEMBL13045369 0.94 TSHR (0.47) CYP1A2ALDH1A1RAB9AKDM4EHPGD
SCHEMBL13045353 0.94 TSHR (0.47) CYP1A2ALDH1A1RAB9AKDM4EHPGD
SCHEMBL10054025 0.92 CYP1A2 (0.39) CYP1A2ALDH1A1RAB9AKDM4EHPGD
SCHEMBL14508552 0.92 CYP1A2 (0.39) CYP1A2ALDH1A1RAB9AKDM4EHPGD
SCHEMBL15681222 0.91 CYP1A2 (0.52) CYP1A2ALDH1A1RAB9AKDM4EHPGD
SCHEMBL13636758 0.91 CYP1A2 (0.52) CYP1A2ALDH1A1RAB9AKDM4EHPGD
SCHEMBL12887521 0.91 CYP1A2 (0.52) CYP1A2ALDH1A1RAB9AKDM4EHPGD
SCHEMBL10054607 0.89 CYP1A2 (0.37) CYP1A2ALDH1A1RAB9AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273512-B1 Conjugated polymers comprising triarylamine-arylenevinylene units, synthesis and use of the same MERCK PATENT GMBH (DE) 2016-07-20 EP disclosed
EP-1961016-B1 TRIARYLAMINE-ARYLVINYLENE MOIETY-CONTAINING CONJUGATED POLYMERS, THEIR PRODUCTION AND USE MERCK PATENT GMBH (DE) 2013-06-05 EP disclosed
CN-101331558-B Conjugated polymers, their preparation and use MERCK PATENT GMBH 2012-10-03 CN disclosed
EP-2273512-A2 Conjugated polymers comprising triarylamine-arylenevinylene units, synthesis and use of the same Merck Patent GmbH (DE) 2011-01-12 EP disclosed
US-7799875-B2 polymeric light emitting diodes; longer operating lifetime; brightness with lower energy; MERCK PATENT GMBH (DE) 2010-09-21 US disclosed
US-20090005505-A1 polymeric light emitting diodes; longer operating lifetime; brightness with lower energy; MERCK PATENT GMBH (DE) 2009-01-01 US disclosed