SCHEMBL12132276

SCHEMBL12132276

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ NR1H2 P55055 2/20 0.41
▸ NR1H3 Q13133 2/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GBA1 P04062 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
SCHEMBL12132281 0.95 PIK3CA (0.40) L3MBTL1CYP1A1CYP1A2CYP1B1NPC1
SCHEMBL12033605 0.93 PIK3CD (0.40) L3MBTL1CYP1A1CYP1A2CYP1B1NPC1
SCHEMBL17228054 0.92 MEN1 (0.43) L3MBTL1ALDH1A1MEN1KMT2AADORA3
SCHEMBL24065255 0.92 MEN1 (0.43) L3MBTL1ALDH1A1MEN1KMT2AADORA3
SCHEMBL16191494 0.92 MEN1 (0.43) L3MBTL1ALDH1A1MEN1KMT2AADORA3
SCHEMBL30118239 0.91 L3MBTL1 (0.43) L3MBTL1CYP1A1CYP1A2CYP1B1NPC1
SCHEMBL17756487 0.91 CYP1A1 (0.39) L3MBTL1CYP1A1CYP1A2CYP1B1NPC1
SCHEMBL17756490 0.91 CYP1A1 (0.39) L3MBTL1CYP1A1CYP1A2CYP1B1NPC1
SCHEMBL17756492 0.91 CYP1A1 (0.39) L3MBTL1CYP1A1CYP1A2CYP1B1NPC1
SCHEMBL17756489 0.91 CYP1A1 (0.39) L3MBTL1CYP1A1CYP1A2CYP1B1NPC1

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-20110284829-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-24 — — US disclosed
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