SCHEMBL7990062

SCHEMBL7990062

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.53
TARBP2 Q15633 1/20 0.50
HTT P42858 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CRHBP P24387 1/20 0.47
KMT2A Q03164 1/20 0.47
CRHR2 Q13324 1/20 0.47
MLYCD O95822 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP19A1 P11511 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41

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 0.91 ALOX5 (0.48) SIRT2TARBP2ALOX5MAPTKDM4E
SCHEMBL7989451 0.90 ALOX5 (0.58) ALOX5MAPTKDM4EMEN1HSP90AA1
SCHEMBL7989950 0.90 MAPK13 (0.51) TARBP2ALOX5MAPTKDM4EMEN1
SCHEMBL7989597 0.89 SIRT2 (0.53) SIRT2TARBP2ALOX5MAPTKDM4E
SCHEMBL7991922 0.85 AR (0.50) HTTALOX5MAPTKDM4EMEN1
SCHEMBL17803252 0.83 KDM4E (0.58) ALOX5MAPTKDM4EMEN1HSP90AA1
SCHEMBL7992000 0.83 MAPT (0.50) SIRT2ALOX5MAPTKDM4EMEN1
SCHEMBL7977996 0.82 TRPV1 (0.49) MAPTTRPV1TP53
SCHEMBL7989869 0.80 KDM4E (0.43) ALOX5MAPTKDM4EMEN1HSP90AA1
SCHEMBL7989595 0.80 SIRT2 (0.53) SIRT2TARBP2ALOX5MAPTKDM4E

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