SCHEMBL22918686

SCHEMBL22918686

CCOC(=O)c1ccc(SC)c(CBr)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
PLK1 P53350 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.36

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
SCHEMBL7584851 0.86 ALDH1A1 (0.43) CYP4F2CYP4A11ALDH1A1TSHRLMNA
SCHEMBL9073415 0.80 TSHR (0.47) CYP4F2CYP4A11ALDH1A1TSHRLMNA
SCHEMBL21177461 0.77 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1TSHRNPSR1
SCHEMBL31121872 0.77 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1TSHRNPSR1
SCHEMBL21177157 0.77 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1TSHRNPSR1
SCHEMBL7573933 0.77 CYP4F2 (0.60) CYP4F2CYP4A11ALDH1A1TSHRLMNA
SCHEMBL28108787 0.76 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1TSHRCA1
SCHEMBL22918492 0.76 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1TSHRNPSR1
SCHEMBL24718682 0.75 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1TSHRNPSR1
SCHEMBL7582552 0.74 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1TSHRLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021013969-A1 3-[(HYDRAZONO)METHYL]-N-(TETRAZOL-5-YL)-BENZAMIDE AND 3-[(HYDRAZONO)METHYL]-N-(1,3,4-OXADIAZOL-2-YL)-BENZAMIDE DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-01-28 WO disclosed