SCHEMBL9865356

SCHEMBL9865356

N#Cc1sc(SCc2ccccc2)c(C#N)c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 8/20 0.54
HPGD P15428 5/20 0.54
KDM4E B2RXH2 4/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
RET P07949 1/20 0.43
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
ALOX15 P16050 2/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9864663 0.74 GRIA4 (0.37) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL9865714 0.72 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL9493186 0.69 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL9864878 0.68 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL9864955 0.68 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8996655 0.68 MAPT (0.48) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL14234135 0.65 MAOB (0.44) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL9760986 0.65 HSD11B1 (0.46) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL2109986 0.65 MAPT (0.39) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL2768615 0.64 CA12 (0.50) MEN1KMT2AALDH1A1HPGDLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1017243-B THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INT RES (NL) 1992-07-01 CN disclosed
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
CN-87101917-A Has the active novel sulfurized compound of antifungal 1988-01-06 CN disclosed
EP-0234622-A1 New thio compounds having fungicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-09-02 EP disclosed