SCHEMBL11954572

SCHEMBL11954572

c1ccc(-c2c3cc4c5ccccc5c5cccc(c3c(-c3ccccc3)c3c6ccc7c8ccc9c%10c(ccc(c%11ccc(c23)c6c%117)c%108)-c2ccc(N3CCCCC3)cc2-9)c54)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.36
▸ PRKDC P78527 1/20 0.33
▸ ADORA2A P29274 4/20 0.32
▸ ADORA1 P30542 4/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL12682309 0.81 KIF11 (0.39) KIF11PRKDCADORA2AADORA1DHODH
SCHEMBL11954578 0.79 PTGS2 (0.31) —
SCHEMBL15385296 0.76 — —
SCHEMBL11954573 0.76 MAOB (0.35) KDM4E
SCHEMBL15385295 0.74 IMPDH2 (0.35) KDM4EL3MBTL1
SCHEMBL13425956 0.72 KIF11 (0.42) KIF11PRKDCDHODHKDM4EL3MBTL1
SCHEMBL13418365 0.71 DHODH (0.44) DHODHKDM4EL3MBTL1CCNA2CDK2
SCHEMBL15385298 0.70 MAPK1 (0.33) DHODHKDM4EL3MBTL1
SCHEMBL13425960 0.70 KIF11 (0.41) KIF11PRKDCADORA2AADORA1DHODH
SCHEMBL13090418 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9240554-B2 Organic compound, organic electroluminescence element, and image display device CANON KABUSHIKI KAISHA (JP) 2016-01-19 — — US disclosed
US-20130300638-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2013-11-14 — — US disclosed
WO-2012098793-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2012-07-26 — — WO disclosed
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