SCHEMBL17756492

SCHEMBL17756492

Cc1ccc(-c2ccc3c4ccccc4c4cc5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc4c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36

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
SCHEMBL17756490 1.00 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1NPC1RAB9A
SCHEMBL17756489 1.00 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1NPC1RAB9A
SCHEMBL17756487 1.00 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1NPC1RAB9A
SCHEMBL23633889 0.92 MEN1 (0.37) ATMLMNAMAPTL3MBTL1ALDH1A1
SCHEMBL12132276 0.91 L3MBTL1 (0.43) CYP1A1CYP1A2CYP1B1NPC1RAB9A
SCHEMBL17736950 0.90 NPY5R (0.36) ATMLMNAMAPTL3MBTL1ALDH1A1
SCHEMBL17734313 0.88 MEN1 (0.38) ATMNPSR1LMNAMAPTABCG2
SCHEMBL17756477 0.88 MEN1 (0.38) CYP1A1CYP1A2CYP1B1ATMTP53
SCHEMBL17756481 0.88 MEN1 (0.38) CYP1A1CYP1A2CYP1B1ATMTP53
SCHEMBL17756486 0.88 MEN1 (0.38) CYP1A1CYP1A2CYP1B1ATMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160141512-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-19 — — US disclosed
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