SCHEMBL939472

SCHEMBL939472

COc1[c]c(C(F)(F)F)nc(S(C)(=O)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.41
LMNA P02545 7/20 0.41
NPSR1 Q6W5P4 7/20 0.40
HPGD P15428 6/20 0.40
TP53 P04637 6/20 0.40
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 5/20 0.38
STAT3 P40763 4/20 0.38
HSD17B10 Q99714 4/20 0.38
MITF O75030 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
SDHB P21912 9/20 0.34
RAB9A P51151 4/20 0.34
STAT1 P42224 2/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
S1PR4 O95977 2/20 0.34

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
SCHEMBL938853 0.83 SMN1; SMN2 (0.33) SMN1; SMN2LMNANPSR1HPGDTP53
SCHEMBL939883 0.73 HSD17B10 (0.33) LMNAHSD17B10MAPK1MAPT
SCHEMBL941074 0.72 KDM4E (0.34) KDM4E
SCHEMBL940362 0.70 MAPK1 (0.31) SMN1; SMN2MAPK1
SCHEMBL939694 0.69
SCHEMBL29227708 0.68 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1HPGDTP53
SCHEMBL939965 0.67
SCHEMBL8446796 0.63 LMNA (0.68) SMN1; SMN2LMNANPSR1HPGDTP53
SCHEMBL8655073 0.61 LMNA (0.56) SMN1; SMN2LMNANPSR1HPGDTP53
SCHEMBL7826827 0.61 SMN1; SMN2 (0.50) SMN1; SMN2LMNANPSR1HPGDTP53

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
US-7875606-B2 Herbicides; selectivity between crops and weeds IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
EP-1405853-B1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-03 EP disclosed
EP-1405853-A1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-07 EP disclosed