SCHEMBL9795696

SCHEMBL9795696

O=C1CN(c2ccc(F)c(F)c2)NC(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.35
TSHR P16473 1/20 0.35
ALOX5 P09917 6/20 0.35
CYP11B2 P19099 2/20 0.35
ADAMTS5 Q9UNA0 3/20 0.34
MMP2 P08253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP13 P45452 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ADAM17 P78536 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 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
SCHEMBL9795750 0.86 ALOX5 (0.35) ALOX5ADAMTS5MMP2
SCHEMBL9795690 0.81 ALOX5 (0.40) ALOX5ALDH1A1DDB1CRBN
SCHEMBL9795564 0.79 ALOX5 (0.56) ALOX5MEN1ALDH1A1KMT2A
SCHEMBL9795544 0.78 ALOX5 (0.56) ALOX5ADAMTS5ALDH1A1
SCHEMBL9795576 0.78 ALOX5 (0.54) ALOX5MEN1ALDH1A1KMT2A
SCHEMBL9795652 0.77 ADRB1 (0.40) TSHRALOX5MEN1ALDH1A1RAB9A
SCHEMBL9795595 0.77 ALOX5 (0.59) ALOX5MMP2MEN1ALDH1A1KMT2A
SCHEMBL9795578 0.75 MMP13 (0.40) ALOX5MEN1KMT2AMMP13
SCHEMBL9795754 0.75 ALOX5 (0.54) ALOX5RAB9A
SCHEMBL28937147 0.73 ALOX5 (0.62) ALOX5RAD51

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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