SCHEMBL20257101

SCHEMBL20257101

c1cncc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.39
▸ CYP11B2 P19099 4/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ PDK2 Q15119 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PSIP1 O75475 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ DHPS P49366 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ PIM1 P11309 2/20 0.33

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
SCHEMBL20257083 0.99 CYP11B1 (0.40) CYP11B1CYP11B2MAPK14PIK3CACYP17A1
SCHEMBL20257073 0.98 CYP11B1 (0.41) CYP11B1CYP11B2MAPK14PIK3CACYP17A1
SCHEMBL20256994 0.97 CYP11B1 (0.41) CYP11B1CYP11B2MAPK14PIK3CACYP17A1
SCHEMBL17012241 0.88 CYP1A2 (0.41) CYP11B1CYP11B2MAPK14PIK3CACYP1A2
SCHEMBL29291490 0.86 CYP11B2 (0.38) CYP11B1CYP11B2MAPK14PIK3CACYP17A1
SCHEMBL16485274 0.85 CYP1A2 (0.42) CYP11B1CYP11B2MAPK14CYP1A2ROCK1
SCHEMBL20256995 0.84 CYP11B1 (0.34) CYP11B1CYP11B2MAPK14PIK3CACYP1A2
SCHEMBL29291492 0.83 CYP11B1 (0.40) CYP11B1CYP11B2MAPK14PIK3CACYP17A1
SCHEMBL8739891 0.83 CYP11B2 (0.45) CYP11B1CYP11B2PIK3CACYP17A1CYP19A1
SCHEMBL18697599 0.83 CYP11B1 (0.51) CYP11B1CYP11B2PIK3CACYP17A1CYP19A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018103746-A1 CARBAZOLE BENZENE FUSED RING DERIVATIVE, POLYMER, MIXTURE, COMPOSITION, ORGANIC ELECTRONIC DEVICE AND PREPARATION METHOD THEREFOR 广州华睿光电材料有限公司 2018-06-14 — — WO disclosed
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