SCHEMBL9866055

SCHEMBL9866055

CC[S+]([O-])c1sc(C(=O)c2ccc(Cl)cc2)c(OC)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
HPGD P15428 4/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MELK Q14680 2/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 6/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
GALK1 P51570 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA1 P30542 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
SCHEMBL9865250 0.87 LMNA (0.42) LMNAHPGDALDH1A1KDM4EGAA
SCHEMBL9865195 0.85 LMNA (0.52) LMNAHPGDALDH1A1KDM4EGAA
SCHEMBL9865339 0.81 FNTA (0.32) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL9865338 0.80 MEN1 (0.41) LMNAHPGDALDH1A1KDM4EGAA
SCHEMBL9864548 0.78 ALDH1A1 (0.42) LMNAHPGDALDH1A1KDM4EGAA
SCHEMBL9866096 0.75 ALDH1A1 (0.42) LMNAHPGDALDH1A1KDM4EGAA
SCHEMBL9865163 0.74 MAPT (0.40) LMNAHPGDALDH1A1KDM4EGAA
SCHEMBL9865539 0.74 ALDH1A1 (0.54) LMNAHPGDALDH1A1KDM4EGAA
SCHEMBL9864464 0.71
SCHEMBL9866197 0.71 L3MBTL1 (0.32) HPGDALDH1A1KDM4EMELKL3MBTL1

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