SCHEMBL7989950

SCHEMBL7989950

CCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)[nH]c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.51
RAF1 P04049 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
DHODH Q02127 1/20 0.48
TARBP2 Q15633 1/20 0.48
ALOX5 P09917 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
PIN1 Q13526 2/20 0.46
TNKS O95271 1/20 0.44
WNT3A P56704 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
DGAT1 O75907 1/20 0.44

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
SCHEMBL7988569 0.92 ALOX5 (0.48) TARBP2ALOX5MAPTKDM4EKMT2A
SCHEMBL7989451 0.91 ALOX5 (0.58) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL7989597 0.90 SIRT2 (0.53) TARBP2ALOX5MAPTKDM4EKMT2A
SCHEMBL7990062 0.90 SIRT2 (0.53) TARBP2ALOX5MAPTKDM4EKMT2A
SCHEMBL28582964 0.89 TARBP2 (0.54) TARBP2ALOX5MAPTKDM4EKMT2A
SCHEMBL28576642 0.87 ERCC1 (0.55) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL7991922 0.86 AR (0.50) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL6367621 0.86 ERCC1 (0.54) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL7989869 0.85 KDM4E (0.43) MAPK13MAPK12MAPK11MAPK14DHODH
SCHEMBL17803252 0.84 KDM4E (0.58) DHODHALOX5MAPTKDM4EKMT2A

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed