SCHEMBL27602913

SCHEMBL27602913

CC(C)CC(=O)Oc1c(-c2ccc(C#N)cc2)[nH]c2ccc(C#N)cc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.44
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RORC P51449 1/20 0.38
AR P10275 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
SCHEMBL27585106 0.94 CXCR2 (0.41) CXCR2CYP2C9MEN1KMT2AL3MBTL1
SCHEMBL27585100 0.90 CXCR2 (0.39) CXCR2CYP2C9
SCHEMBL27602918 0.89 CXCR2 (0.41) CXCR2CYP2C9L3MBTL1
SCHEMBL27602916 0.88 CXCR2 (0.39) CXCR2CYP2C9MEN1KMT2AL3MBTL1
SCHEMBL27585104 0.87 CXCR2 (0.41) CXCR2CYP2C9L3MBTL1
SCHEMBL27585094 0.87 CXCR2 (0.41) CXCR2CYP2C9MEN1KMT2A
SCHEMBL27585248 0.86 CXCR2 (0.36) CXCR2CYP2C9MEN1KMT2AL3MBTL1
SCHEMBL27602912 0.85 CXCR2 (0.37) CXCR2CYP2C9L3MBTL1
SCHEMBL27585097 0.84 L3MBTL1 (0.41) CXCR2MEN1KMT2AL3MBTL1RORC
SCHEMBL27585099 0.83 L3MBTL1 (0.35) CXCR2MEN1KMT2AL3MBTL1RORC

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-1496348-A 5-cyano-1H-indole derivatives as antagonists of interleukine-8 receptors ʵ���Ҹ���Ү��˾ 2004-05-12 CN disclosed