SCHEMBL28898149

SCHEMBL28898149

CCOC(=O)c1ccc(S(C)(=O)=O)c(CN(C)N(C#N)C(C)=O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 2/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 2/20 0.33
ALOX15 P16050 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MEN1 O00255 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TSHR P16473 3/20 0.32
JAK3 P52333 1/20 0.32
CYP11B1 P15538 1/20 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
SCHEMBL28453727 0.86 LMNA (0.32)
SCHEMBL21179439 0.81 MAPT (0.35) MAPTKDM4EKMT2ACA1CA2
SCHEMBL21179378 0.80 CA1 (0.37) MAPTKDM4EKMT2ACA1CA2
SCHEMBL21177175 0.76 CA1 (0.33) MAPTCA1CA2CA12CA9
SCHEMBL21177214 0.76 TSHR (0.40) MAPTKDM4EKMT2ACA1CA2
SCHEMBL31121872 0.75 CYP4F2 (0.47) MAPTKDM4EKMT2ACA1CA2
SCHEMBL21177157 0.75 CYP4F2 (0.47) MAPTKDM4EKMT2ACA1CA2
SCHEMBL21179401 0.75 TSHR (0.46) MAPTKDM4EKMT2ACA1CA2
SCHEMBL21177394 0.73 CA1 (0.34) MAPTKDM4ECA1CA2CA12
SCHEMBL21596123 0.70 TSHR (0.37) MAPTKDM4EKMT2ACA1CA2

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
CN-111615508-A Amidine substituted benzoyl derivatives useful as herbicides 先正达参股股份有限公司 2020-09-01 CN disclosed