SCHEMBL7939787

SCHEMBL7939787

CCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(-c3ccc(F)cc3)c2C)c1O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.38
PTGS1 P23219 11/20 0.37
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7947420 0.92 PTGS2 (0.35) PTGS2PTGS1NPC1ALDH1A1RAB9A
SCHEMBL7951321 0.91 PTGS2 (0.37) PTGS2PTGS1ALDH1A1SMN1; SMN2
SCHEMBL7947421 0.90 SMN1; SMN2 (0.33) PTGS2PTGS1NPC1ALDH1A1HPGD
SCHEMBL7939640 0.90 SMN1; SMN2 (0.39) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL7951276 0.90 LMNA (0.38) PTGS2PTGS1KDM4ENPC1ALDH1A1
SCHEMBL7939693 0.89 PTGS2 (0.34) PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL7939695 0.89 MAPK1 (0.37) PTGS2PTGS1KDM4ENPC1ALDH1A1
SCHEMBL7946253 0.88 PTGER4 (0.36)
SCHEMBL7939860 0.87 SMN1; SMN2 (0.35) NPC1ALDH1A1RAB9ASMN1; SMN2CYP1A2
SCHEMBL7948299 0.86 SMN1; SMN2 (0.41) ALDH1A1HPGDRAB9ASMN1; SMN2CYP1A2

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-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US disclosed