SCHEMBL18174613

SCHEMBL18174613

Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cncc(C)c5)cc4)c4cc(-c5cccc6ccccc56)ccc34)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 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
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
TLR8 Q9NR97 1/20 0.36
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CHRNB1 P11230 1/20 0.36

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
SCHEMBL9612921 0.91 DHFR (0.40) ENPP3ENPP1CYP11B1CYP11B2CYP1A2
SCHEMBL18174552 0.84 CYP11B2 (0.45) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL18174608 0.84 CYP11B1 (0.43) CYP11B1CYP11B2CYP3A4PRMT5WDR77
SCHEMBL15161111 0.84 CDK7 (0.44) CYP11B1CYP11B2CYP3A4PRMT5WDR77
SCHEMBL15977676 0.84 CDK7 (0.44) CYP11B1CYP11B2CYP3A4PRMT5WDR77
SCHEMBL16805019 0.83 CHRNB1 (0.45) ENPP3ENPP1CYP11B1CYP11B2CYP1A2
SCHEMBL15161112 0.83 CYP2A6 (0.47) CYP11B1CYP11B2CYP3A4PRMT5WDR77
SCHEMBL10300939 0.82 CDK7 (0.44) CYP11B1CYP11B2CYP3A4PRMT5WDR77
SCHEMBL9613083 0.82 DHFR (0.40) ENPP3ENPP1CYP11B1CYP11B2CA12
SCHEMBL10030059 0.82 KDM4E (0.50) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6

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