SCHEMBL9636087

SCHEMBL9636087

CS(=O)(=O)c1ccc(C(=O)C2=C(NCCN)CCCC2=O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
USP28 Q96RU2 7/20 0.39
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
GPR6 P46095 1/20 0.35
SMO Q99835 1/20 0.35

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
SCHEMBL9190248 0.81 PTGS2 (0.45) MAPTGAARAB9AUSP28ALDH1A1
SCHEMBL6866312 0.81 MAPT (0.44) MAPTGAARAB9AUSP28ALDH1A1
SCHEMBL9636081 0.79 MAPT (0.38) MAPTGAARAB9AUSP28ALDH1A1
SCHEMBL9863247 0.78 MAPT (0.40) MAPTGAARAB9AUSP28ALDH1A1
SCHEMBL9192686 0.77 MAPT (0.41) MAPTGAARAB9AUSP28ALDH1A1
SCHEMBL9863365 0.77 MAPT (0.39) MAPTGAARAB9AUSP28ALDH1A1
SCHEMBL9863368 0.77 MAPT (0.39) MAPTGAARAB9AUSP28ALDH1A1
Ammonia Solution, Strong SCHEMBL9636076 0.75 MAPT (0.40) MAPTGAARAB9AUSP28ALDH1A1
SCHEMBL2047178 0.70 MAPT (0.42) MAPTGAARAB9AUSP28ALDH1A1
Sulcotrione SCHEMBL7037935 0.69 MAPT (0.43) MAPTGAARAB9AALDH1A1MEN1

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
US-5173105-A Herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-22 US disclosed