SCHEMBL4392641

SCHEMBL4392641

Cc1cccc(N(c2cccc(C)c2)c2ccc(-c3ccc(N)cc3-c3ccccc3)c(-c3ccccc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
MAOA P21397 1/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PTPRC P08575 2/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL23780954 0.96 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL3261552 0.93 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL18816303 0.91 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL29657016 0.90 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL18150300 0.90 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL18816302 0.89 ALDH1A1 (0.51) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL8359083 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL746513 0.87 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL28429971 0.87 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL14179985 0.87 HSD17B1 (0.41) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208116-A1 BIS(ENYLARYL)ARYLAMINE CHARGE TRANSPORT LAYER CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2012-08-16 US claimed
EP-1949957-B1 System and Method for Producing Arylamine Compounds XEROX CORP (US) 2009-12-16 EP disclosed
EP-1949957-A1 System and Method for Producing Arylamine Compounds Xerox Corporation (US) 2008-07-30 EP disclosed