SCHEMBL9795690

SCHEMBL9795690

O=C1CN(c2ccc(F)cc2)NC(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.40
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GSK3B P49841 1/20 0.34
BACE1 P56817 1/20 0.34
GAA P10253 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL9795576 0.82 ALOX5 (0.54) ALOX5MGLLALDH1A1
SCHEMBL9795754 0.82 ALOX5 (0.54) ALOX5MGLLMAPTPKM
SCHEMBL9795544 0.82 ALOX5 (0.56) ALOX5ALDH1A1MAPTGAA
SCHEMBL9795578 0.82 MMP13 (0.40) ALOX5MGLLGAA
SCHEMBL9795696 0.81 BPTF (0.35) ALOX5ALDH1A1DDB1CRBN
SCHEMBL9795564 0.80 ALOX5 (0.56) ALOX5MGLLALDH1A1MAPTGAA
SCHEMBL9795810 0.78 MGLL (0.42) ALOX5MGLLALDH1A1CYP2C19TDP1
SCHEMBL9795750 0.78 ALOX5 (0.35) ALOX5MAPTPKMGSK3BBACE1
SCHEMBL9795636 0.76 MMP2 (0.46) ALOX5MGLL
SCHEMBL9795652 0.75 ADRB1 (0.40) ALOX5ALDH1A1MAPTCYP3A4CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388165-A2 Chemical compounds GLAXO GROUP LIMITED (GB) 1990-09-19 EP claimed
US-5023255-A Triazine derivatives; inhibitors exzyme 5-lipoxygenase GLAXO GROUP LIMITED (GB) 1991-06-11 US disclosed
EP-0388165-A2 Chemical compounds GLAXO GROUP LIMITED (GB) 1990-09-19 EP disclosed