SCHEMBL18174591

SCHEMBL18174591

Cc1cnccc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccncc4C)cc3)c3cc(-c4ccc5ccccc5c4)ccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 4/20 0.46
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
ABL1 P00519 2/20 0.42
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
MAPK8 P45983 1/20 0.41
TDO2 P48775 2/20 0.40
GRM4 Q14833 1/20 0.39
CSNK1D P48730 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
CCNC P24863 5/20 0.38
CDK8 P49336 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL15977889 0.96 CYP11B1 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1ABL1
SCHEMBL15977447 0.94 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1ABL1
SCHEMBL10032613 0.93 CYP11B1 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1ABL1
SCHEMBL10032762 0.92 CYP11B1 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1ABL1
SCHEMBL15160981 0.90 CYP11B1 (0.51) CYP11B1CYP11B2CYP17A1CYP19A1ABL1
SCHEMBL10032688 0.88 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1ABL1
SCHEMBL15977591 0.88 PIK3CA (0.46) CYP17A1CYP19A1MAPK10GRM4CCNC
SCHEMBL18174551 0.88 PIK3CA (0.46) CYP17A1CYP19A1MAPK10GRM4CCNC
SCHEMBL10032926 0.87 CYP17A1 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1ABL1
SCHEMBL10032768 0.87 CYP11B2 (0.49) CYP11B1CYP11B2CYP17A1CYP19A1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed