SCHEMBL15172016

SCHEMBL15172016

c1ccc2cc(-c3cc(-c4ccc(-n5c(-c6ccc7ccccc7c6)nc6ccccc65)cc4)nc(-c4ccc5ccccc5c4)c3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.49
▸ ESR1 P03372 2/20 0.49
▸ MAPK10 P53779 7/20 0.48
▸ GRIA1 P42261 1/20 0.48
▸ CACNG8 Q8WXS5 1/20 0.48
▸ CACNG2 Q9Y698 1/20 0.48
▸ PTGS2 P35354 1/20 0.44
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ CTRC Q99895 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP1A2 P05177 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
SCHEMBL15172007 0.95 ESR1 (0.56) ESR2ESR1MAPK10GRIA1CACNG8
SCHEMBL15172055 0.94 ESR1 (0.55) ESR2ESR1MAPK10GRIA1CACNG8
SCHEMBL15172015 0.94 ESR1 (0.54) ESR2ESR1MAPK10GRIA1CACNG8
SCHEMBL15172037 0.93 CTRC (0.48) ESR2ESR1MAPK10GRIA1CACNG8
SCHEMBL15172045 0.91 ESR2 (0.49) ESR2ESR1MAPK10GRIA1CACNG8
SCHEMBL14225186 0.90 ESR1 (0.47) ESR2ESR1MAPK10GRIA1CACNG8
SCHEMBL14225153 0.90 ESR1 (0.49) ESR2ESR1MAPK10GRIA1CACNG8
SCHEMBL15172018 0.88 ESR2 (0.50) ESR2ESR1MAPK10GRIA1CACNG8
SCHEMBL15172074 0.87 RPS6KA5 (0.42) MAPK10
SCHEMBL14506132 0.86 ESR1 (0.56) ESR2ESR1MAPK10GRIA1CACNG8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9548460-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-01-17 — — US disclosed
US-9548460-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-01-17 — — US disclosed
US-20130200356-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2013-08-08 — — US disclosed
US-20130200356-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2013-08-08 — — US disclosed
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