SCHEMBL12435755

SCHEMBL12435755

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.50
LDHA P00338 1/20 0.47
CYP11B1 P15538 6/20 0.43
CYP11B2 P19099 6/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
BAZ2B Q9UIF8 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12435999 0.98 HPGDS (0.49) HPGDSLDHACYP11B1CYP11B2HSD17B1
SCHEMBL12345155 0.98 HPGDS (0.51) HPGDSLDHACYP11B1CYP11B2HSD17B1
SCHEMBL29655386 0.98 HPGDS (0.51) HPGDSLDHACYP11B1CYP11B2HSD17B1
SCHEMBL12345194 0.92 HPGDS (0.50) HPGDSLDHACYP11B1CYP11B2HSD17B1
SCHEMBL29134690 0.91 CYP1A2 (0.45) HPGDSLDHACYP11B1CYP11B2NPC1
SCHEMBL30775115 0.91 CYP1A2 (0.45) HPGDSLDHACYP11B1CYP11B2NPC1
SCHEMBL28548915 0.89 HPGDS (0.45) HPGDSLDHACYP11B1CYP11B2HSD17B1
SCHEMBL30901466 0.89 HPGDS (0.45) HPGDSLDHACYP11B1CYP11B2HSD17B1
SCHEMBL29959399 0.89 HPGDS (0.45) HPGDSLDHACYP11B1CYP11B2HSD17B1
SCHEMBL29242850 0.89 HPGDS (0.45) HPGDSLDHACYP11B1CYP11B2HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011037380-A9 NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-08-04 WO disclosed
WO-2011037380-A2 NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-03-31 WO disclosed