SCHEMBL18174730

SCHEMBL18174730

Cc1cnccc1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4cnccc4C)c3)c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 8/20 0.47
CYP1A2 P05177 6/20 0.47
DHODH Q02127 1/20 0.46
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
ABL1 P00519 4/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
GRM4 Q14833 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 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
SCHEMBL15161084 1.00 CYP17A1 (0.47) CYP17A1CYP1A2DHODHCYP11B1CYP11B2
SCHEMBL18174724 0.95 CYP17A1 (0.51) CYP17A1CYP1A2DHODHCYP11B1CYP11B2
SCHEMBL18174750 0.95 GRM4 (0.43) CYP17A1CYP1A2DHODHABL1GRM4
SCHEMBL18174625 0.92 DHODH (0.48) CYP17A1CYP1A2DHODHCYP11B1CYP11B2
SCHEMBL15161107 0.90 CYP17A1 (0.51) CYP17A1CYP1A2DHODHCYP11B1CYP11B2
SCHEMBL15161102 0.90 GRM4 (0.46) CYP17A1CYP1A2CYP11B1PTGES2GRM4
SCHEMBL18174753 0.88 PIK3CA (0.45) CYP17A1CYP1A2DHODHGRM4
SCHEMBL15160983 0.88 CYP17A1 (0.51) CYP17A1CYP1A2DHODHCYP11B1CYP11B2
SCHEMBL15161087 0.87 CYP17A1 (0.47) CYP17A1CYP1A2DHODHCYP11B1CYP11B2
SCHEMBL18174716 0.87 PIK3CA (0.47) CYP17A1CYP1A2CYP11B1CYP11B2ABL1

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