SCHEMBL13656644

SCHEMBL13656644

C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3cc(-c4ccc(-c5ccc(-c6cccc7ccccc67)s5)s4)ccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
NQO2 P16083 2/20 0.33
CYP19A1 P11511 1/20 0.32
CYP11B2 P19099 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
PTGS2 P35354 1/20 0.32
PRKDC P78527 2/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ESR1 P03372 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL13656640 0.99 CA12 (0.36) CA12CA1CA2CA9NQO2
SCHEMBL13656634 0.90 HSD17B1 (0.40) NQO2CYP19A1CYP11B2HSD17B1HSD17B2
SCHEMBL13656645 0.89 HSD17B1 (0.41) NQO2CYP19A1CYP11B2HSD17B1HSD17B2
SCHEMBL13656643 0.88 CYP19A1 (0.34) CYP19A1CYP11B2HSD17B1HSD17B2PTGS2
SCHEMBL13656641 0.87 CYP19A1 (0.35) CYP19A1CYP11B2HSD17B1HSD17B2PTGS2
SCHEMBL13656642 0.84 CA12 (0.40) CA12CA1CA2CA9NQO2
SCHEMBL13656653 0.83 CA12 (0.41) CA12CA1CA2CA9NQO2
SCHEMBL13656655 0.79 APP (0.45) CA12CA1CA2CA9NQO2
SCHEMBL5473713 0.78 CYP19A1 (0.41) CYP19A1CYP11B2PTGS2ESR1
SCHEMBL13656618 0.78 CA12 (0.45) CA12CA1CA2CA9NQO2

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
EP-1501821-B1 NEW ORGANIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME LG CHEMICAL LTD (KR) 2016-07-20 EP disclosed
US-7604874-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-10-20 US disclosed
US-7604874-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-10-20 US disclosed
US-7485733-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-02-03 US disclosed
US-7485733-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-02-03 US disclosed
US-20070037012-A1 having an anthracene compound substituted with at least one thiophenyl ring; OLED organic light emitters; as displays with low power consumption, faster response time, higher brightness level, unlimited viewing angle LG CHEM, LTD. (KR) 2007-02-15 US disclosed
US-20070037012-A1 having an anthracene compound substituted with at least one thiophenyl ring; OLED organic light emitters; as displays with low power consumption, faster response time, higher brightness level, unlimited viewing angle LG CHEM, LTD. (KR) 2007-02-15 US disclosed