SCHEMBL12612869

SCHEMBL12612869

c1cnc(-c2ccc3ccc4c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc5ccc2c3c54)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.47
▸ PRKDC P78527 4/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ GGPS1 O95749 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CDC14B O60729 2/20 0.34
▸ CDC14A Q9UNH5 2/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ ZAP70 P43403 1/20 0.34

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
SCHEMBL12613076 0.93 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBCYP17A1
SCHEMBL12380183 0.91 ALOX5 (0.55) ALOX5PRKDCPIK3CDPIK3CBCYP17A1
SCHEMBL12380205 0.91 ALOX5 (0.55) ALOX5PRKDCPIK3CDPIK3CBCYP17A1
SCHEMBL12612247 0.89 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBCYP17A1
SCHEMBL12380163 0.88 ALOX5 (0.52) ALOX5PRKDCPIK3CDPIK3CBCYP17A1
SCHEMBL12380134 0.88 ALOX5 (0.52) ALOX5PRKDCPIK3CDPIK3CBCYP17A1
SCHEMBL10084789 0.88 ALOX5 (0.52) ALOX5PRKDCPIK3CDPIK3CBCYP17A1
SCHEMBL1687977 0.88 ALOX5 (0.52) ALOX5PRKDCPIK3CDPIK3CBCYP17A1
SCHEMBL12380148 0.88 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBCYP17A1
SCHEMBL12613087 0.88 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBCYP17A1

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
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 — — US disclosed
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 — — US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 — — US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 — — US disclosed
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