SCHEMBL9865632

SCHEMBL9865632

CSc1sc(C(=O)c2ccccc2)c(N)c1C#N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
ALDH1A1 P00352 11/20 0.66
KDM4E B2RXH2 5/20 0.66
HPGD P15428 5/20 0.66
GAA P10253 2/20 0.63
MAPT P10636 7/20 0.60
USP2 O75604 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
LMNA P02545 6/20 0.59
NPSR1 Q6W5P4 6/20 0.59
GRIA4 P48058 2/20 0.55
HTT P42858 2/20 0.54
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GRIA2 P42262 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL6802135 0.87 ALDH1A1 (0.64) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL6800185 0.87 KMT2A (0.54) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9865192 0.86 MEN1 (0.76) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9865433 0.85 GRIA4 (0.56) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9865755 0.84 MEN1 (0.73) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9865457 0.82 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3818516 0.81 GRIA4 (0.57) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL6644214 0.78 GRIA4 (0.47) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9864594 0.78 GRIA4 (0.47) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4484013 0.78 ALDH1A1 (0.79) MEN1KMT2AALDH1A1KDM4EHPGD

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