SCHEMBL9865083

SCHEMBL9865083

CCSc1sc(C(=O)c2ccc(Cl)cc2)c(O)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GRIA4 P48058 3/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
FNTA P49354 7/20 0.42
FNTB P49356 7/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
GRIA2 P42262 1/20 0.37
HTT P42858 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
SCHEMBL9864961 0.87 ALDH1A1 (0.69) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL9865517 0.81 MEN1 (0.55) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL9864830 0.79 ALDH1A1 (0.68) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL9865583 0.77 GRIA4 (0.48) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL10652875 0.77 GRIA4 (0.74) GRIA4KMT2AFNTAFNTBGRIA2
SCHEMBL9865192 0.74 MEN1 (0.76) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL9865433 0.73 GRIA4 (0.56) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL6802135 0.72 ALDH1A1 (0.64) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL9865438 0.71 ALDH1A1 (0.55) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL16792140 0.68 GRIA4 (0.64) NPSR1GRIA4KMT2AFNTAFNTB

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