SCHEMBL10016787

SCHEMBL10016787

CCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cnccc5-c5ccncc5)c5ccccc45)c4ccccc34)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
MAPK8 P45983 1/20 0.37
TDO2 P48775 2/20 0.36
MAPK14 Q16539 2/20 0.34
CSNK1D P48730 1/20 0.34
MAPK11 Q15759 1/20 0.34
CCNC P24863 4/20 0.34
CDK8 P49336 4/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
GCGR P47871 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
SCHEMBL10016886 0.91 MAPT (0.42) MAPTMAPK9MAPK10CYP1A2CYP2A6
SCHEMBL10017121 0.91 CYP1A2 (0.44) MAPTMAPK9MAPK10CYP1A2CYP2A6
SCHEMBL10016786 0.90 CYP1A2 (0.43) MAPTMAPK9MAPK10CYP1A2CYP2A6
SCHEMBL10017236 0.86 CYP1A2 (0.42) MAPTMAPK9MAPK10CYP1A2CYP2A6
SCHEMBL10016890 0.85 MAPT (0.41) MAPTMAPK9MAPK10CYP1A2CYP11B1
SCHEMBL10016782 0.83 MAPT (0.48) MAPTCYP1A2CYP2A6CYP11B1CYP11B2
SCHEMBL10017119 0.83 MAPT (0.49) MAPTCYP1A2CYP2A6CYP11B1CYP11B2
SCHEMBL10017099 0.83 MAPK9 (0.38) MAPTMAPK9MAPK10CYP1A2CYP2A6
SCHEMBL10017079 0.83 CYP11B1 (0.38) MAPTMAPK9MAPK10CYP1A2CYP2A6
SCHEMBL10017083 0.83 MAPT (0.37) MAPTMAPK9MAPK10CYP1A2CYP2A6

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
WO-2012005214-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME JNC株式会社 (JP) 2012-01-12 WO disclosed