SCHEMBL12436968

SCHEMBL12436968

c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RAB9A P51151 2/20 0.52
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
CTRC Q99895 1/20 0.41
CYP1A2 P05177 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ASIC3 Q9UHC3 1/20 0.41
TP53 P04637 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL12435739 0.92 CYP1A1 (0.45) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL12436209 0.92 CYP1A1 (0.47) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL12436964 0.92 CYP1A1 (0.47) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL10300910 0.91 CYP1A1 (0.50) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL13658705 0.89 MAPK9 (0.47) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL15977632 0.89 MEN1 (0.47) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL28586868 0.89 CYP1A1 (0.42) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL10353365 0.88 MEN1 (0.46) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL12767934 0.88 CYP1A2 (0.41) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL15996513 0.88 CYP1A2 (0.41) MEN1KMT2ARAB9ACYP1A1CYP1B1

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