SCHEMBL10017079

SCHEMBL10017079

CCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccncc6)nc5)c5ccccc45)c4ccccc34)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
DHODH Q02127 1/20 0.35
WNT3A P56704 2/20 0.34
RIOK2 Q9BVS4 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL10017083 0.92 MAPT (0.37) CYP11B1CYP11B2MAPTCYP1A2CYP2A6
SCHEMBL10017121 0.89 CYP1A2 (0.44) CYP11B1CYP11B2MAPTNPC1RAB9A
SCHEMBL10016786 0.88 CYP1A2 (0.43) CYP11B1CYP11B2MAPTNPC1RAB9A
SCHEMBL10016998 0.86 MAPT (0.43) MAPTNPC1RAB9ACYP2A6MAPK9
SCHEMBL10017078 0.85 WNT3A (0.37) CYP11B1CYP11B2MAPTNPC1RAB9A
SCHEMBL10016785 0.84 CYP1A2 (0.41) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL10017236 0.84 CYP1A2 (0.42) CYP11B1CYP11B2MAPTNPC1RAB9A
SCHEMBL10017123 0.84 CYP1A2 (0.38) CYP11B1CYP11B2MAPTNPC1RAB9A
SCHEMBL10017119 0.83 MAPT (0.49) CYP11B1CYP11B2MAPTCYP1A2CYP2A6
SCHEMBL10016787 0.83 MAPT (0.40) CYP11B1CYP11B2MAPTNPC1RAB9A

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