SCHEMBL10017119

SCHEMBL10017119

CCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccnc5)c5ccccc45)c4ccccc34)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
CYP11B1 P15538 15/20 0.46
CYP11B2 P19099 15/20 0.46
CYP19A1 P11511 6/20 0.46
CYP17A1 P05093 5/20 0.46
GBA1 P04062 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL10016782 0.95 MAPT (0.48) MAPTCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL10016892 0.87 CYP11B1 (0.45) MAPTCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL10017121 0.86 CYP1A2 (0.44) MAPTCYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL10016744 0.86 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1CYP17A1CYP2C9
SCHEMBL10016928 0.86 MAPT (0.44) MAPTCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL10016786 0.85 CYP1A2 (0.43) MAPTCYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL10016886 0.85 MAPT (0.42) MAPTCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL10017353 0.84 CYP11B1 (0.49) MAPTCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL10017079 0.83 CYP11B1 (0.38) MAPTCYP11B1CYP11B2CYP1A2CYP2A6
SCHEMBL10016787 0.83 MAPT (0.40) MAPTCYP11B1CYP11B2CYP17A1CYP2C9

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