SCHEMBL9532418

SCHEMBL9532418

Cn1nc(-c2cc(F)c([N+](=O)[O-])cc2F)c(Cl)c1S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
VCAM1 P19320 2/20 0.34
MAPT P10636 4/20 0.33
MITF O75030 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
ALPL P05186 1/20 0.33
APEX1 P27695 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
RAB9A P51151 1/20 0.32
ESPL1 Q14674 1/20 0.32
ALDH1A1 P00352 4/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9531607 0.89 VCAM1 (0.34) MEN1KMT2AVCAM1MAPTMITF
SCHEMBL9531453 0.88 PTGS2 (0.33) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL9530335 0.85 MAPT (0.35) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL9537862 0.82 APEX1 (0.38) MEN1KMT2AAPEX1ALDH1A1GAA
SCHEMBL7741912 0.81 VCAM1 (0.34) MEN1KMT2AVCAM1MAPTMITF
SCHEMBL8566176 0.81 ALDH1A1 (0.39) MEN1KMT2AVCAM1MAPTSMN1; SMN2
SCHEMBL27524947 0.81 MITF (0.32) MAPTMITFHTTSMN1; SMN2POLB
SCHEMBL7509183 0.78 VCAM1 (0.33) MEN1KMT2AVCAM1MAPTMITF
SCHEMBL9530503 0.77 TXNRD1 (0.37) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL9533344 0.77 SLC34A1 (0.30)

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 2 patents. 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
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO disclosed