SCHEMBL9865152

SCHEMBL9865152

CCOC(=O)c1sc([S+]([O-])CC)c(C#N)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
FNTA P49354 8/20 0.41
FNTB P49356 8/20 0.41
BRAF P15056 4/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MC4R P32245 1/20 0.38
ADORA2A P29274 1/20 0.37

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
SCHEMBL9866197 0.85 L3MBTL1 (0.32) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL9865250 0.78 LMNA (0.42) L3MBTL1ALDH1A1HPGDKDM4EFNTA
SCHEMBL9864548 0.78 ALDH1A1 (0.42) RXFP1ALDH1A1HPGDKDM4EMEN1
SCHEMBL9865408 0.75 L3MBTL1 (0.33) L3MBTL1
SCHEMBL23531539 0.75 L3MBTL1 (0.51) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL9865266 0.74 L3MBTL1 (0.51) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL28606704 0.73 L3MBTL1 (0.44) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL9864797 0.72
SCHEMBL9865339 0.72 FNTA (0.32) L3MBTL1ALDH1A1HPGDKDM4EFNTA
SCHEMBL9864958 0.71

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
US-4994485-A Seed and soil fungi, bacteria DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-02-19 US disclosed
EP-0234622-B1 NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-06-27 EP disclosed
EP-0234622-A1 New thio compounds having fungicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-09-02 EP disclosed