SCHEMBL9530503

SCHEMBL9530503

CCS(=O)(=O)c1c(Cl)c(-c2cc(OC)c([N+](=O)[O-])cc2F)nn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.37
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
BLM P54132 1/20 0.34
ALDH1A1 P00352 8/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
S1PR4 O95977 1/20 0.33
OPRK1 P41145 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9531453 0.90 PTGS2 (0.33) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL9531883 0.85 ALDH1A1 (0.34) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL8566841 0.81 ALDH1A1 (0.35) TXNRD1LMNAKMT2AMAPTHTT
SCHEMBL9532418 0.77 MEN1 (0.34) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL8569813 0.77 ALDH1A1 (0.35) TXNRD1LMNAKMT2AMAPTHTT
SCHEMBL9531607 0.74 VCAM1 (0.34) KMT2AMAPTHTTALDH1A1MEN1
SCHEMBL9530563 0.74 PTGS2 (0.39) LMNAKMT2AMAPTALDH1A1MEN1
SCHEMBL9530079 0.72 PTGDR2 (0.41) ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL8570112 0.72 MAPT (0.34) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL9530335 0.71 MAPT (0.35) LMNAKMT2AMAPTALDH1A1CYP1A2

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
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed