SCHEMBL9864663

SCHEMBL9864663

CCSc1sc(C#N)c(N)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.37
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 13/20 0.34
KDM4E B2RXH2 9/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 3/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 3/20 0.32
MAPT P10636 3/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
PTK2B Q14289 1/20 0.32
ESR2 Q92731 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9865714 0.86 ALDH1A1 (0.47) GRIA4MEN1KMT2AALDH1A1KDM4E
SCHEMBL9865601 0.83 ALDH1A1 (0.39) GRIA4MEN1KMT2AALDH1A1KDM4E
SCHEMBL9864878 0.81 ALDH1A1 (0.41) GRIA4MEN1KMT2AALDH1A1KDM4E
SCHEMBL9493186 0.79 ALDH1A1 (0.38) GRIA4MEN1KMT2AALDH1A1KDM4E
SCHEMBL9864884 0.79 GRIA4 (0.40) GRIA4MEN1KMT2AALDH1A1HPGD
SCHEMBL9864520 0.79 GRIA4 (0.37) GRIA4MEN1KMT2AALDH1A1KDM4E
SCHEMBL9865356 0.74 MEN1 (0.63) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9865456 0.71 L3MBTL1 (0.55) GRIA4MEN1KMT2AALDH1A1KDM4E
SCHEMBL9872497 0.69 BPTF (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9865072 0.69 GRIA4 (0.39) GRIA4MEN1KMT2AALDH1A1KDM4E

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