SCHEMBL9795705

SCHEMBL9795705

Cc1cc(N(CC(=O)O)NC(N)=O)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 3/20 0.34
KMT2A Q03164 1/20 0.33
MMP13 P45452 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KEAP1 Q14145 2/20 0.32
NFE2L2 Q16236 2/20 0.32
SLC9A1 P19634 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL9795619 0.81 ALDH1A1 (0.41) KMT2AALDH1A1KEAP1NFE2L2
SCHEMBL9795637 0.78 MAOA (0.39) MAOAMAOBSMN1; SMN2KMT2AMMP13
SCHEMBL9795706 0.77 CYP3A4 (0.41) SMN1; SMN2KMT2AALDH1A1HSD17B10
SCHEMBL9795555 0.76 POLB (0.38) ALDH1A1L3MBTL1KEAP1NFE2L2
SCHEMBL11573258 0.74 TDP1 (0.40) KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL9795602 0.74 ALDH1A1 (0.41) SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL9795734 0.73 OGG1 (0.38) SMN1; SMN2KMT2AMMP13ALDH1A1KDM4E
SCHEMBL10439130 0.72 SLC9A1 (0.32) SMN1; SMN2F2KMT2AMMP13ALDH1A1
SCHEMBL9795628 0.72 SIGMAR1 (0.45) KDM4E
SCHEMBL9795800 0.70 SIGMAR1 (0.38) SMN1; SMN2ALDH1A1KDM4EGRIN2B

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