SCHEMBL5074635

SCHEMBL5074635

CC(C)(C)c1cc(-c2ccccc2N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2cc3ccccc3cc2c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL5077359 0.81 KIF11 (0.36) —
SCHEMBL3176043 0.79 MEN1 (0.30) ALDH1A1
SCHEMBL6660571 0.77 RAB9A (0.41) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL30291126 0.77 HSD17B1 (0.31) —
SCHEMBL6263389 0.76 ALDH1A1 (0.34) NPC1ALDH1A1CASP3RAB9ASENP8
SCHEMBL28762623 0.74 ALDH1A1 (0.40) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL27355208 0.74 ALDH1A1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL26555768 0.72 ALDH1A1 (0.35) ALDH1A1L3MBTL1
SCHEMBL26549873 0.72 RXRA (0.34) ALDH1A1L3MBTL1
SCHEMBL1753935 0.71 MEN1 (0.36) NPC1ALDH1A1RAB9AL3MBTL1

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
EP-1896413-B1 ANTHRACENE DERIVATIVE, MATERIAL FOR LIGHT EMITTING ELEMENT, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2015-04-22 — — EP disclosed
EP-2479814-A1 Light emitting device comprising a carbazole-anthracene derivative Semiconductor Energy Laboratory Co, Ltd. (JP) 2012-07-25 — — EP disclosed
EP-1896413-A1 ANTHRACENE DERIVATIVE, MATERIAL FOR LIGHT EMITTING ELEMENT, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-03-12 — — EP disclosed
WO-2006104221-A1 ANTHRACENE DERIVATIVE, MATERIAL FOR LIGHT EMITTING ELEMENT, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2006-10-05 — — WO disclosed
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