SCHEMBL20121357

SCHEMBL20121357

C=C/C(=C\C=C(/C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PLA2G2A P14555 2/20 0.34
▸ PLA2G4A P47712 2/20 0.34
▸ TTR P02766 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ BCAT1 P54687 3/20 0.33
▸ IDO1 P14902 4/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ PLA2G10 O15496 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24021510 0.86 NPC1 (0.31) NPC1RAB9APLA2G2APLA2G4A
SCHEMBL6372595 0.78 PLA2G2A (0.51) NPC1RAB9APLA2G2APLA2G4APLA2G10
SCHEMBL15496178 0.78 PLA2G2A (0.51) NPC1RAB9APLA2G2APLA2G4APLA2G10
SCHEMBL6374358 0.78 PLA2G2A (0.51) NPC1RAB9APLA2G2APLA2G4APLA2G10
SCHEMBL15496374 0.78 PLA2G2A (0.51) NPC1RAB9APLA2G2APLA2G4APLA2G10
SCHEMBL6373566 0.78 PLA2G2A (0.51) NPC1RAB9APLA2G2APLA2G4APLA2G10
SCHEMBL15496188 0.78 PLA2G2A (0.51) NPC1RAB9APLA2G2APLA2G4APLA2G10
SCHEMBL10110027 0.78 PLA2G2A (0.51) NPC1RAB9APLA2G2APLA2G4APLA2G10
SCHEMBL21432095 0.78 PLA2G2A (0.51) NPC1RAB9APLA2G2APLA2G4APLA2G10
SCHEMBL10110056 0.78 PLA2G2A (0.51) NPC1RAB9APLA2G2APLA2G4APLA2G10

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-9966539-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2018-05-08 — — US disclosed
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