SCHEMBL1369697

SCHEMBL1369697

C=CCc1ccccc1N(c1ccc(-c2ccc(N)cc2-c2ccccc2)c(-c2ccccc2)c1)c1ccccc1CC=C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
PTPRC P08575 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
LMNA P02545 1/20 0.31
PLA2G1B P04054 1/20 0.31
POLB P06746 1/20 0.31
CTSL P07711 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
PLCG1 P19174 1/20 0.31
CTSS P25774 1/20 0.31
NPY1R P25929 1/20 0.31
S100A4 P26447 1/20 0.31
PTBP1 P26599 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL8210128 0.79 CYP3A4 (0.42) ALDH1A1HPGDRAB9ASMN1; SMN2KDM4E
SCHEMBL1369698 0.78 CYP3A4 (0.33) CYP3A4TDP1GABRA1GABRB2AKR1B1
SCHEMBL4565154 0.77 CYP3A4 (0.52) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL5673769 0.77 AKR1B1 (0.32) GABRA1GABRB2AKR1B1
SCHEMBL15716956 0.74 CDK4 (0.40) PTGDR2PTPRCALDH1A1MEN1APAF1
SCHEMBL9659364 0.74 GABRA1 (0.42) ALDH1A1MEN1HPGDKMT2AKDM4E
SCHEMBL11388986 0.74 GABRA1 (0.38) ALDH1A1MEN1POLBKMT2AKCNH2
SCHEMBL3675862 0.73 GABRA1 (0.40) ALDH1A1KCNH2KDM4ECYP1A2CYP3A4
SCHEMBL1349623 0.73 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL10439799 0.72 PTPRC (0.50) PTPRCALDH1A1MEN1APAF1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067139-B2 Resin mixture backing layer containing photoconductor XEROX CORPORATION (US) 2011-11-29 US disclosed
EP-1277089-A4 CHARGE GENERATION LAYERS COMPRISING AT LEAST ONE TITANATE AND PHOTOCONDUCTORS INCLUDING THE SAME LEXMARK INT INC (US) 2006-03-01 EP disclosed
EP-1277089-A1 CHARGE GENERATION LAYERS COMPRISING AT LEAST ONE TITANATE AND PHOTOCONDUCTORS INCLUDING THE SAME Lexmark International, Inc. (US) 2003-01-22 EP disclosed
WO-2001079937-A1 CHARGE GENERATION LAYERS COMPRISING AT LEAST ONE TITANATE AND PHOTOCONDUCTORS INCLUDING THE SAME LEXMARK INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed