SCHEMBL18174785

SCHEMBL18174785

Cc1ccncc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccncc4C)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
CYP17A1 P05093 13/20 0.43
CYP1A2 P05177 11/20 0.43
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
GRM4 Q14833 1/20 0.38
ABL1 P00519 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL18174759 0.94 CYP17A1 (0.46) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174776 0.93 GRM4 (0.43) DHODHCYP17A1CYP1A2GRM4S1PR1
SCHEMBL18174788 0.93 DHODH (0.50) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174625 0.91 DHODH (0.48) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174770 0.89 DHODH (0.49) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL9612942 0.89 DHODH (0.52) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174554 0.88 DHODH (0.52) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL9612957 0.87 DHODH (0.48) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174758 0.86 GRM4 (0.43) DHODHCYP17A1CYP1A2GRM4S1PR1
SCHEMBL10017304 0.85 CYP17A1 (0.53) DHODHCYP17A1CYP1A2

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