SCHEMBL9864903

SCHEMBL9864903

CCCC[S+]([O-])c1sc(C(=O)c2ccccc2)c(N)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
MAPT P10636 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 6/20 0.48
HPGD P15428 5/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 7/20 0.47
NPSR1 Q6W5P4 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL9866469 0.93 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9865539 0.89 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9866108 0.83 L3MBTL1 (0.34) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL9865338 0.79 MEN1 (0.41) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9865195 0.78 LMNA (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9865742 0.76 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9865457 0.76 MEN1 (0.70) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9865665 0.76 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9865257 0.75 L3MBTL1 (0.35) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9864548 0.75 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AGAA

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