SCHEMBL15803045

SCHEMBL15803045

c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4ccc5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc6ccc3c4c65)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.52
▸ ESR2 Q92731 2/20 0.52
▸ GRIA1 P42261 1/20 0.46
▸ CACNG8 Q8WXS5 1/20 0.46
▸ CACNG2 Q9Y698 1/20 0.46
▸ PTGS2 P35354 1/20 0.42
▸ ALDH1A1 P00352 8/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ GFER P55789 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL15803043 0.97 ESR1 (0.47) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15803060 0.96 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15803162 0.96 ESR1 (0.46) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15803101 0.94 ESR1 (0.46) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15803076 0.94 ESR1 (0.46) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15803069 0.94 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15803041 0.93 RECQL (0.45) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976950 0.92 ESR2 (0.60) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15803077 0.91 ESR1 (0.46) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15803099 0.90 ESR1 (0.41) ESR1ESR2GRIA1CACNG8CACNG2

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-9882141-B2 Pyrene-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-30 — — US disclosed
US-9882141-B2 Pyrene-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-30 — — US disclosed
US-20140167007-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-06-19 — — US disclosed
US-20140167007-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-06-19 — — US disclosed
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