SCHEMBL28118939

SCHEMBL28118939

COc1ccc(Cl)cc1-c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.61
CYP11B2 P19099 5/20 0.61
CYP19A1 P11511 4/20 0.61
CYP17A1 P05093 3/20 0.61
PDE4B Q07343 1/20 0.56
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.53
KMT2A Q03164 3/20 0.53
ALPL P05186 2/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 2/20 0.52
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
PDE10A Q9Y233 1/20 0.51
ABL1 P00519 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL1422659 0.84 KDM4E (0.67) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL8165131 0.83 CYP11B2 (0.61) CYP11B1CYP11B2CYP19A1CYP17A1PDE4B
SCHEMBL14003313 0.83 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL29775388 0.83 CYP11B2 (0.61) CYP11B1CYP11B2CYP19A1CYP17A1PDE4B
SCHEMBL7369883 0.82 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1CYP17A1PDE4B
SCHEMBL2652791 0.81 MKNK1 (0.55) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL6217515 0.81 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL19418726 0.81 CYP11B1 (0.52) CYP11B1CYP11B2CYP17A1CYP3A4KMT2A
SCHEMBL5988696 0.80 HPGD (0.65) KMT2AALPLMEN1POLBKDM4E
SCHEMBL28225240 0.80 MKNK1 (0.60) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4

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
CN-106397453-A Materials with aza-dibenzothiophene or aza-dibenzofuran core for PHOLED 通用显示公司 2017-02-15 CN disclosed