SCHEMBL30008583

SCHEMBL30008583

CN1CCN(CCNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
VCAM1 P19320 9/20 0.62
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL23148212 1.00 KDM4E (0.67) KDM4EVCAM1LMNASMN1; SMN2PKM
SCHEMBL30007934 0.87 KDM4E (0.86) KDM4EVCAM1LMNASMN1; SMN2PKM
SCHEMBL21247083 0.87 KDM4E (0.86) KDM4EVCAM1LMNASMN1; SMN2PKM
SCHEMBL28508912 0.87 KDM4E (0.62) KDM4EVCAM1LMNASMN1; SMN2PKM
SCHEMBL21253089 0.83 KDM4E (0.55) KDM4EVCAM1LMNAMAPTALDH1A1
SCHEMBL15823836 0.80 GAA (0.74) KDM4ELMNASMN1; SMN2PKMGAA
SCHEMBL17373973 0.80 MEN1 (0.67) KDM4ELMNASMN1; SMN2PKMGAA
SCHEMBL7496013 0.80 VCAM1 (0.79) KDM4EVCAM1ALDH1A1MAPK1HTT
SCHEMBL21253065 0.79 WNK1 (0.53) KDM4ELMNASMN1; SMN2PKMGAA
SCHEMBL18556821 0.78 VCAM1 (0.75) KDM4EVCAM1PKMMAPTALDH1A1

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-112105601-B Benzenesulfonamide derivatives and related FERROSTATIN-1 analogs as cell death inhibitors 维伯VZW公司 2022-11-18 CN disclosed