SCHEMBL9865192

SCHEMBL9865192

CCSc1sc(C(=O)c2ccccc2)c(N)c1C#N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
ALDH1A1 P00352 11/20 0.72
KDM4E B2RXH2 6/20 0.72
HPGD P15428 5/20 0.72
GAA P10253 2/20 0.69
LMNA P02545 7/20 0.68
NPSR1 Q6W5P4 6/20 0.68
MAPT P10636 6/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
HTT P42858 2/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
USP2 O75604 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GRIA4 P48058 1/20 0.49
CYP3A4 P08684 1/20 0.44
KLK7 P49862 1/20 0.44

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
SCHEMBL9865755 0.90 MEN1 (0.73) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9865457 0.88 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9864961 0.88 ALDH1A1 (0.69) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9865632 0.86 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9865423 0.80 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9864830 0.80 ALDH1A1 (0.68) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9865517 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9865539 0.76 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9865456 0.75 L3MBTL1 (0.55) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL6796039 0.74 ALDH1A1 (0.58) 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