SCHEMBL7948257

SCHEMBL7948257

COc1ccc(-c2c(S(C)(=O)=O)ccc(C(=O)c3cnn(C)c3O)c2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 1/20 0.34
MMP9 P14780 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
PKM P14618 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
SCHEMBL5000921 0.88 MAPK1 (0.35) MAPK1LMNAALDH1A1KMT2APTGS2
SCHEMBL7939695 0.87 MAPK1 (0.37) MAPK1ALDH1A1KMT2APTGS2PTGS1
SCHEMBL7949505 0.87 TDP1 (0.36) MAPK1LMNAALDH1A1KMT2APTGS2
SCHEMBL7939761 0.85 POLB (0.33) MAPK1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL1358388 0.83 MAPT (0.31) MAPK1LMNAALDH1A1KMT2AMAPT
SCHEMBL12602531 0.81 SMN1; SMN2 (0.32) LMNAALDH1A1NPC1RAB9AMAPT
SCHEMBL7947323 0.80 LMNA (0.35) MAPK1LMNAALDH1A1KMT2ACYP2C9
SCHEMBL1358536 0.79 KDM4E (0.34) ALDH1A1KMT2ACYP2C19KDM4ENPC1
SCHEMBL8177016 0.78 PRKDC (0.36)
SCHEMBL3767515 0.78 ALDH1A1 (0.31) ALDH1A1RAB9AMAPT

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 4 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
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed