SCHEMBL9865973

SCHEMBL9865973

CCC[S+]([O-])c1sc(C(C)=O)c(C)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 5/20 0.34
KDM4E B2RXH2 2/20 0.34
APOBEC3G Q9HC16 1/20 0.34
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA2A P29274 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 3/20 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
SCHEMBL9865408 0.85 L3MBTL1 (0.33) L3MBTL1
SCHEMBL9865257 0.85 L3MBTL1 (0.35) ALDH1A1MAPK1TSHRHSD17B10HPGD
SCHEMBL9865562 0.77 L3MBTL1 (0.32) ALDH1A1HPGDLMNAL3MBTL1SMN1; SMN2
SCHEMBL9866108 0.77 L3MBTL1 (0.34) ALDH1A1MAPK1TSHRHSD17B10HPGD
SCHEMBL9864536 0.77 ALDH1A1 (0.32) ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL9865382 0.73 ALDH1A1 (0.36) ALDH1A1MAPK1TSHRHSD17B10HPGD
SCHEMBL9866197 0.73 L3MBTL1 (0.32) ALDH1A1MAPK1TSHRHSD17B10RXFP1
SCHEMBL9864787 0.71
SCHEMBL9865339 0.71 FNTA (0.32) ALDH1A1HPGDKDM4EL3MBTL1MEN1
SCHEMBL9866469 0.70 MEN1 (0.55) ALDH1A1MAPK1TSHRRXFP1HPGD

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