SCHEMBL1921940

SCHEMBL1921940

c1ccc2c(c1)Cc1cc(Nc3ccc(-c4ccc(Nc5ccc6c(c5)Cc5ccccc5-6)cc4)cc3)ccc1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 1/20 0.58
ADRA2A P08913 1/20 0.55
MAOA P21397 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2C P28335 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR2B P41595 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 4/20 0.51
MAPT P10636 3/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 6/20 0.50
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 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
SCHEMBL15906933 0.97 CYP1A2 (0.55) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL1921953 0.94 CYP1A2 (0.64) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL2168131 0.93 CYP1A2 (0.66) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL23252899 0.91 CYP1A2 (0.47) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL2165580 0.91 CYP1A2 (0.60) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL19836623 0.90 CYP1A2 (0.50) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL25458414 0.90 CNR1 (0.53) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL25732937 0.87 CYP1A2 (0.47) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL25458310 0.86 CYP1A2 (0.49) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL7168804 0.85 HSD17B10 (0.54) CYP1A2CYP3A4ADRA2AMAOASLC6A2

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
EP-2603541-B1 POLYMERS WITH CARBAZOLE STRUCTURAL UNITS MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
EP-1528074-B1 NOVEL TRIARYLAMINE POLYMER, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF TOSOH CORP (JP) 2014-03-26 EP disclosed
EP-2327739-A1 Novel triarylamine polymer, process for its production and its use TOSOH CORPORATION (JP) 2011-06-01 EP disclosed
US-7608680-B2 Triarylamine polymer, process for producing the same, and use thereof TOSOH CORPORATION (JP) 2009-10-27 US disclosed
US-20060241278-A1 Novel triarylamine polymer, process for producing the same, and use thereof TOSOH CORPORATION (JP) 2006-10-26 US disclosed
US-20060017040-A9 Novel triarylamine polymer, process for producing the same, and use thereof SUZUKI TAKAO 2006-01-26 US disclosed
EP-1528074-A1 NOVEL TRIARYLAMINE POLYMER, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Tosoh Corporation (JP) 2005-05-04 EP disclosed
US-20040262574-A1 Novel triarylamine polymer, process for producing the same, and use thereof TOSOH CORPORATION (JP) 2004-12-30 US disclosed