SCHEMBL9514933

SCHEMBL9514933

CC(CSSCC(C)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.53
ACE P12821 1/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.46
KLK7 P49862 2/20 0.46
NPC1 O15118 1/20 0.46
FFAR2 O15552 1/20 0.46
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL9518695 0.83 MME (0.73) MMEACEMEN1KMT2ALMNA
SCHEMBL19965677 0.83 CA1 (0.62) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL20852746 0.83 CA1 (0.62) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL26503489 0.81 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL5227347 0.78 ALDH1A1 (0.61) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL28581175 0.77 MEN1 (0.57) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7086042 0.77 MEN1 (0.57) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL28589171 0.77 MEN1 (0.57) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL11744810 0.77 MEN1 (0.60) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL2610082 0.76 MEN1 (0.74) MEN1KMT2ASMN1; SMN2TSHRKLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410726-B1 S-SUBSTITUTED BETA-THIOACRYLAMIDES AND THEIR USE AS MICROBICIDES ROHM AND HAAS COMPANY (US) 1993-09-01 EP disclosed
US-5151447-A Bactericides and fungicides ROHM AND HAAS COMPANY (US) 1992-09-29 US disclosed
US-5023275-A S-substituted beta-thioacrylamide biocides and fungicides ROHM AND HAAS COMPANY (US) 1991-06-11 US disclosed
EP-0410726-A1 S-substituted beta-thioacrylamides and their use as microbicides ROHM AND HAAS COMPANY (US) 1991-01-30 EP disclosed