SCHEMBL7989451

SCHEMBL7989451

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.58
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
MAPK14 Q16539 3/20 0.45
GCGR P47871 2/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MLYCD O95822 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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) ALOX5MAPTKDM4EMEN1KMT2A
SCHEMBL7989950 0.91 MAPK13 (0.51) ALOX5MAPTKDM4EMEN1KMT2A
SCHEMBL7990062 0.90 SIRT2 (0.53) ALOX5MAPTKDM4EMEN1KMT2A
SCHEMBL7989597 0.90 SIRT2 (0.53) ALOX5MAPTKDM4EMEN1KMT2A
SCHEMBL7991922 0.86 AR (0.50) ALOX5MAPTKDM4EMEN1KMT2A
SCHEMBL17803252 0.84 KDM4E (0.58) ALOX5MAPTKDM4EMEN1KMT2A
SCHEMBL7992000 0.84 MAPT (0.50) ALOX5MAPTKDM4EMEN1KMT2A
SCHEMBL7992311 0.83 ALOX5 (0.54) ALOX5MAPTKDM4EALDH1A1GABRA2
SCHEMBL7992254 0.82 MAPT (0.54) ALOX5MAPTMEN1KMT2AL3MBTL1
SCHEMBL7995288 0.82 MAPK13 (0.52) ALOX5MAPTKDM4EALDH1A1MAPK14

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