SCHEMBL714013

SCHEMBL714013

c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4nsnc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ PSMB8 P28062 1/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ BCL2L1 Q07817 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ TDO2 P48775 1/20 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
SCHEMBL721818 0.95 TDO2 (0.39) ALDH1A1HSD17B10BCL2L1MAPK1NOTUM
SCHEMBL18464326 0.90 NPC1 (0.43) ALDH1A1TDP1MEN1NPC1RAB9A
SCHEMBL9927383 0.85 PSMB8 (0.42) ALDH1A1PSMB8MEN1NPC1RAB9A
SCHEMBL18083028 0.85 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4TDP1MEN1
SCHEMBL4934230 0.84 DCUN1D1 (0.40) ALDH1A1HSD17B10BCL2L1MAPK1MEN1
SCHEMBL23055925 0.84 MAPK1 (0.44) ALDH1A1MAPK1MEN1RAB9AKMT2A
SCHEMBL18198900 0.84 CYP2A6 (0.43) ALDH1A1HSD17B10CYP1A2NPC1RAB9A
SCHEMBL17659990 0.84 CYP2A6 (0.42) ALDH1A1HSD17B10CYP1A2MEN1NPC1
SCHEMBL12331371 0.82 CES2 (0.35) ALDH1A1CYP1A2MEN1NPC1RAB9A
SCHEMBL711946 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124250-B2 includes two electrodes, an organic film layer with a substance having a benzothiadiazole skeleton, a metal oxide layer provided on the organic film layer by vacuum vapor deposition, and an interface between the pair of electrodes; stable light emitting display without sealing SEIKO EPSON CORPORATION (JP) 2012-02-28 — — US disclosed
US-20080280162-A1 Organic electronic device SEIKO EPSON CORPORATION (JP) 2008-11-13 — — US disclosed
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