SCHEMBL10032396

SCHEMBL10032396

Cc1ccc2ccc3ccc(-c4ccc(-c5cccc(-c6ccc(-c7ccc8ccc9ccc(C)cc9c8n7)cc6)c5)cc4)nc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PARP1 P09874 2/20 0.37
MAOA P21397 1/20 0.37
DHODH Q02127 1/20 0.36
AGTR1 P30556 1/20 0.36
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL10032409 1.00 ENPP3 (0.44) ENPP3CYP1A2CYP2A6MEN1KMT2A
SCHEMBL10032350 0.97 CYP1A2 (0.43) ENPP3CYP1A2CYP2A6MEN1KMT2A
SCHEMBL10032395 0.94 CYP1A2 (0.46) ENPP3CYP1A2CYP2A6MEN1KMT2A
SCHEMBL10032346 0.94 CYP1A2 (0.46) ENPP3CYP1A2CYP2A6MEN1KMT2A
SCHEMBL10032420 0.92 CYP1A2 (0.47) CYP1A2CYP2A6MEN1KMT2AKDM4E
SCHEMBL10032359 0.92 CYP1A2 (0.41) ENPP3CYP1A2CYP2A6MEN1KMT2A
SCHEMBL10032443 0.91 MEN1 (0.39) ENPP3CYP1A2CYP2A6MEN1KMT2A
SCHEMBL10032349 0.91 MEN1 (0.39) ENPP3CYP1A2CYP2A6MEN1KMT2A
SCHEMBL10032344 0.90 CYP1A2 (0.42) ENPP3CYP1A2CYP2A6MEN1KMT2A
SCHEMBL10032360 0.87 ENPP3 (0.41) ENPP3MEN1KMT2AKDM4EALDH1A1

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-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed