SCHEMBL938853

SCHEMBL938853

CCOc1[c]c(C(F)(F)F)nc(S(C)(=O)=O)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SDHB P21912 4/20 0.32
NPSR1 Q6W5P4 7/20 0.32
TP53 P04637 6/20 0.32
HPGD P15428 5/20 0.32
HTT P42858 5/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
STAT3 P40763 4/20 0.32
HSD17B10 Q99714 4/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
TLR8 Q9NR97 2/20 0.32
JAK2 O60674 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 6/20 0.32
TLR9 Q9NR96 3/20 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
SCHEMBL939472 0.83 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1SDHBNPSR1TP53
SCHEMBL940465 0.76 KDM4E (0.31) KDM4E
SCHEMBL939126 0.74 KDM4E (0.36) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL939560 0.72 MAT2A (0.31) HSD17B10LMNA
SCHEMBL938817 0.72
SCHEMBL939250 0.71 CTSS (0.38) SMN1; SMN2ALDH1A1RAB9AMAPTLMNA
SCHEMBL940351 0.70
SCHEMBL941040 0.67 MAPK1 (0.31) MAPK1
SCHEMBL8953787 0.63 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1SDHBNPSR1TP53
SCHEMBL8869963 0.58 LMNA (0.50) SMN1; SMN2L3MBTL1NPSR1TP53HTT

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