SCHEMBL18174751

SCHEMBL18174751

Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccnc5C)c5ccccc45)c4ccccc34)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
APLNR P35414 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP2A6 P11509 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
TDO2 P48775 2/20 0.34
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
COMT P21964 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
VHL P40337 1/20 0.33
MAPK10 P53779 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
CKS1B P61024 1/20 0.32
SKP2 Q13309 1/20 0.32

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
SCHEMBL18174700 0.91 DHODH (0.44) DHODHAPLNRCYP11B1CYP11B2CYP2A6
SCHEMBL18174765 0.90 DHODH (0.44) DHODHAPLNRCYP2A6MKNK1MKNK2
SCHEMBL18174739 0.87 APLNR (0.39) DHODHAPLNRCYP11B1CYP11B2CYP2A6
SCHEMBL18174764 0.84 CYP2A6 (0.41) CYP11B1CYP11B2CYP2A6MKNK1MKNK2
SCHEMBL15161110 0.84 CYP11B1 (0.44) DHODHCYP11B1CYP11B2CYP2A6MKNK1
SCHEMBL18174769 0.82 PDK2 (0.36) CYP11B1CYP11B2CYP2A6TDO2PTGS2
SCHEMBL18174777 0.82 CYP2A6 (0.40) DHODHCYP11B1CYP11B2CYP2A6MAPK10
SCHEMBL9612943 0.82 CYP2A6 (0.39) CYP11B1CYP11B2CYP2A6TDO2PTGS2
SCHEMBL18174775 0.81 GRM4 (0.35) DHODHCYP11B1CYP11B2CYP2A6TDO2
SCHEMBL18174791 0.81 DHODH (0.41) DHODHCYP11B1CYP11B2CYP2A6PTGS2

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