SCHEMBL9521985

SCHEMBL9521985

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
NFKB1 P19838 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
PTGS2 P35354 1/20 0.47
THPO P40225 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
GNPAT O15228 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL6920981 0.82 MAPT (0.61) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL497231 0.82 MAPT (0.61) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL8581730 0.80 SMN1; SMN2 (0.48) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL8582202 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL30052623 0.78 SMN1; SMN2 (0.69) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL7436963 0.77 SMN1; SMN2 (0.45) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL11382604 0.77 SMN1; SMN2 (0.45) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL9521978 0.76 KDM4E (0.48) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL24866254 0.74 SMN1; SMN2 (0.42) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL4028312 0.74 SMN1; SMN2 (0.42) SMN1; SMN2MAPTNFKB1KDM4ETHRB

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