SCHEMBL9521978

SCHEMBL9521978

CC(=O)NC(CCl)C(=O)S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
PTGS2 P35354 1/20 0.48
THPO P40225 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
GNPAT O15228 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL13188770 0.79 KDM4E (0.68) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL497231 0.79 MAPT (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6920981 0.79 MAPT (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2548081 0.79 MAPT (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8582199 0.77 KDM4E (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL24866254 0.76 SMN1; SMN2 (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9521985 0.76 SMN1; SMN2 (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4028312 0.76 SMN1; SMN2 (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28883929 0.76 KDM4E (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1812110 0.76 SMN1; SMN2 (0.42) KDM4EMAPTTHRBALOX15NFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301474-B1 NEW CYSTEINE DERIVATIVES HAVING EXPECTORANT ACTIVITY MAGIS FARMACEUTICI S.P.A. (IT) 1993-09-29 EP disclosed
US-4910222-A Bronchodilator MAGIS FARMACEUTICI SPA (IT) 1990-03-20 US disclosed
EP-0301474-A2 New cysteine derivatives having expectorant activity MAGIS FARMACEUTICI S.P.A. (IT) 1989-02-01 EP disclosed