SCHEMBL7949419

SCHEMBL7949419

CCOC(=O)c1ccc(S(C)(=O)=O)c(I)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 2/20 0.43
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.40
RECQL P46063 1/20 0.40
STS P08842 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HTT P42858 2/20 0.38

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
SCHEMBL7949545 0.85 TSHR (0.44) TSHRCA12CA1CA2CA9
SCHEMBL7946106 0.82 ALDH1A1 (0.47) TSHRCA12CA1CA2CA9
SCHEMBL7939680 0.79 ALDH1A1 (0.39) TSHRHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL21179401 0.79 TSHR (0.46) TSHRCA12CA1CA2CA9
SCHEMBL14687178 0.79 CA1 (0.46) TSHRCA12CA1CA2CA9
SCHEMBL30833821 0.77 HPGD (0.50) TSHRCA12CA1CA2CA9
SCHEMBL21596118 0.77 CA1 (0.42) TSHRCA12CA1CA2CA9
SCHEMBL31001608 0.77 CA1 (0.42) TSHRCA12CA1CA2CA9
SCHEMBL28451204 0.75 CA12 (0.40) TSHRCA12CA1CA2CA9
SCHEMBL2023231 0.74 TSHR (0.67) TSHRCA1CA2CA9KDM4E

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