SCHEMBL9826435

SCHEMBL9826435

C[S+]([O-])c1nc(N)c(C#N)s1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.30

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
SCHEMBL9826207 0.78 MAPK1 (0.34) KDM4E
SCHEMBL9827332 0.78 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL10567472 0.77
SCHEMBL10572170 0.74 CDC7 (0.33) KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL11564103 0.71
SCHEMBL8555731 0.69
SCHEMBL6845036 0.66
SCHEMBL11583412 0.66
SCHEMBL167563 0.65 LMNA (0.39) KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1514052 0.63 SMN1; SMN2 (0.33) KDM4EALDH1A1SMN1; SMN2

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
EP-0301613-B1 THIAZOLE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1991-07-10 EP disclosed
US-4889863-A NONPHYTOTOXIC; SEEDS, SOILS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1989-12-26 US disclosed
EP-0301613-A1 Thiazole compounds having fungicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-02-01 EP disclosed