SCHEMBL9955519

SCHEMBL9955519

c1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6ccccn6)c5)c34)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
MCL1 Q07820 5/20 0.38
MAPK14 Q16539 1/20 0.37
DHFR P00374 1/20 0.37
GRM5 P41594 8/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGER1 P34995 1/20 0.34

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
SCHEMBL17109006 0.92 GRM5 (0.42) HTR1AHTR7MCL1MAPK14DHFR
SCHEMBL17206523 0.90 HTR1A (0.45) HTR1AHTR7MCL1MAPK14DHFR
SCHEMBL17248291 0.90 HTR1A (0.49) HTR1AHTR7DHFRGRM5KDM4E
SCHEMBL16484266 0.88 HTR1A (0.38) HTR1AHTR7MCL1MAPK14DHFR
SCHEMBL20413201 0.88 KDM4E (0.38) DHFRGRM5KDM4EATML3MBTL1
SCHEMBL17248289 0.88 HTR1A (0.47) HTR1AHTR7DHFRGRM5KDM4E
SCHEMBL19726495 0.87 MCL1 (0.36) HTR1AHTR7MCL1MAPK14DHFR
SCHEMBL16066861 0.87 HTR1A (0.40) HTR1AHTR7MCL1MAPK14DHFR
SCHEMBL3133195 0.87 HTR1A (0.54) HTR1AHTR7MCL1DHFRGRM5
SCHEMBL19021971 0.87 HTR1A (0.43) HTR1AHTR7MCL1DHFRGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9680111-B2 Compositions for electronic applications E I DU PONT DE NEMOURS AND COMPANY (US) 2017-06-13 US disclosed
US-9680111-B2 Compositions for electronic applications E I DU PONT DE NEMOURS AND COMPANY (US) 2017-06-13 US disclosed
US-9680111-B2 Compositions for electronic applications E I DU PONT DE NEMOURS AND COMPANY (US) 2017-06-13 US disclosed
US-20160164005-A1 COMPOSITIONS FOR ELECTRONIC APPLICATIONS LG CHEM, LTD. (KR) 2016-06-09 US disclosed
US-20160164005-A1 COMPOSITIONS FOR ELECTRONIC APPLICATIONS LG CHEM, LTD. (KR) 2016-06-09 US disclosed
US-20160164005-A1 COMPOSITIONS FOR ELECTRONIC APPLICATIONS LG CHEM, LTD. (KR) 2016-06-09 US disclosed
US-9293716-B2 Compositions for electronic applications EI DU PONT DE NEMOURS AND COMPANY (US) 2016-03-22 US disclosed
US-9293716-B2 Compositions for electronic applications EI DU PONT DE NEMOURS AND COMPANY (US) 2016-03-22 US disclosed
US-9293716-B2 Compositions for electronic applications EI DU PONT DE NEMOURS AND COMPANY (US) 2016-03-22 US disclosed
EP-2655547-A1 COMPOSITIONS FOR ELECTRONIC APPLICATIONS E.I. Du Pont De Nemours And Company (US) 2013-10-30 EP disclosed
US-20130248849-A1 COMPOSITIONS FOR ELECTRONIC APPLICATIONS E I DUPONT DE NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-20130248849-A1 COMPOSITIONS FOR ELECTRONIC APPLICATIONS E I DUPONT DE NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-20130248849-A1 COMPOSITIONS FOR ELECTRONIC APPLICATIONS E I DUPONT DE NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
WO-2012087955-A1 COMPOSITIONS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012087955-A1 COMPOSITIONS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed