SCHEMBL4288341

SCHEMBL4288341

Clc1ccc2cc3cc4cc5cc(Cl)ccc5cc4cc3cc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.68
TP53 P04637 2/20 0.45
F11 P03951 1/20 0.44
AHR P35869 3/20 0.44
NR4A2 P43354 2/20 0.44
CMA1 P23946 1/20 0.44
F7 P08709 1/20 0.44
LTA4H P09960 1/20 0.44
F3 P13726 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 5/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOS1 P29475 2/20 0.41
DYRK1A Q13627 1/20 0.41
HSD17B10 Q99714 2/20 0.39
MAOB P27338 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
SCHEMBL31665941 1.00 CYP2A6 (0.68) CYP2A6TP53F11AHRNR4A2
SCHEMBL27765004 1.00 CYP2A6 (0.68) CYP2A6TP53F11AHRNR4A2
SCHEMBL11302716 1.00 CYP2A6 (0.68) CYP2A6TP53F11AHRNR4A2
SCHEMBL11626337 1.00 CYP2A6 (0.68) CYP2A6TP53F11AHRNR4A2
SCHEMBL865990 0.93 CYP2A6 (0.77) CYP2A6TP53F11AHRNR4A2
SCHEMBL29644361 0.93 CYP2A6 (0.77) CYP2A6TP53F11AHRNR4A2
SCHEMBL30413044 0.91 CYP2A6 (0.84) CYP2A6F11AHRNR4A2CMA1
SCHEMBL5464508 0.91 CYP2A6 (0.84) CYP2A6F11AHRNR4A2CMA1
SCHEMBL1359615 0.91 CYP2A6 (0.84) CYP2A6F11AHRNR4A2CMA1
SCHEMBL29825910 0.91 CYP2A6 (0.84) CYP2A6F11AHRNR4A2CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101415745-B Acene-thiophene copolymers 3M INNOVATIVE PROPERTIES CO 2011-06-15 CN disclosed
US-7608679-B2 for use in semiconductors, electronics such as organic thin film transistors, light emitting diodes, and photovoltaic cells 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-10-27 US disclosed
CN-101415745-A Acene-thiophene copolymers 3M INNOVATIVE PROPERTIES CO (US) 2009-04-22 CN disclosed
CN-101412651-A Pentacenes and derivatives thereof, as well as thereof UNIV BEIJING CHEMICAL (CN) 2009-04-22 CN disclosed
EP-2001926-A2 ACENE-THIOPHENE COPOLYMERS 3M Innovative Properties Company (US) 2008-12-17 EP disclosed
WO-2007115021-A2 ACENE-THIOPHENE COPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-11 WO disclosed
US-20070232781-A1 ACENE-THIOPHENE COPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2007-10-04 US disclosed