SCHEMBL7988569

SCHEMBL7988569

CCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)[nH]c1-c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CRHBP P24387 1/20 0.48
KMT2A Q03164 1/20 0.48
CRHR2 Q13324 1/20 0.48
TARBP2 Q15633 1/20 0.48
NPBWR1 P48145 1/20 0.48
MLYCD O95822 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
RAB9A P51151 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL7989451 0.92 ALOX5 (0.58) ALOX5KDM4EMAPTMEN1HSP90AA1
SCHEMBL7989950 0.92 MAPK13 (0.51) ALOX5KDM4EMAPTMEN1HSP90AA1
SCHEMBL7990062 0.91 SIRT2 (0.53) ALOX5KDM4EMAPTMEN1HSP90AA1
SCHEMBL7989597 0.91 SIRT2 (0.53) ALOX5KDM4EMAPTMEN1HSP90AA1
SCHEMBL7991922 0.87 AR (0.50) ALOX5KDM4EMAPTMEN1HSP90AA1
SCHEMBL7991775 0.87 ALOX5 (0.59) ALOX5KDM4ETARBP2TP53SMN1; SMN2
SCHEMBL17803252 0.85 KDM4E (0.58) ALOX5KDM4EMAPTMEN1HSP90AA1
SCHEMBL7992000 0.84 MAPT (0.50) ALOX5KDM4EMAPTMEN1HSP90AA1
SCHEMBL7988191 0.84 NPBWR1 (0.53) KDM4EMEN1KMT2ANPBWR1PARP1
SCHEMBL7989869 0.82 KDM4E (0.43) ALOX5KDM4EMAPTMEN1HSP90AA1

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