SCHEMBL18174789

SCHEMBL18174789

Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cnccc5C)cc4)c4ccccc34)c3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
CYP17A1 P05093 7/20 0.40
CYP1A2 P05177 4/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP2A6 P11509 2/20 0.38
ABL1 P00519 3/20 0.37
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
PTGS2 P35354 2/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 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
SCHEMBL15160916 0.91 DHODH (0.46) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174791 0.90 DHODH (0.41) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174760 0.90 GRM4 (0.38) DHODHCYP17A1CYP1A2CYP2A6CLK2
SCHEMBL9612957 0.88 DHODH (0.48) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174770 0.87 DHODH (0.49) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL9612942 0.87 DHODH (0.52) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174735 0.86 CYP17A1 (0.44) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174773 0.86 DHODH (0.49) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174777 0.86 CYP2A6 (0.40) DHODHCYP11B1CYP11B2CYP2A6S1PR1
SCHEMBL18174764 0.85 CYP2A6 (0.41) CYP11B1CYP11B2CYP2A6PTGS2S1PR1

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