SCHEMBL6794535

SCHEMBL6794535

C[S+]([O-])c1sc(C(=O)c2cccc(Br)c2)c(N)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
LMNA P02545 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 2/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 1/20 0.42
MELK Q14680 5/20 0.41
GSK3B P49841 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 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
SCHEMBL9866469 0.76 MEN1 (0.55) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL9865539 0.76 ALDH1A1 (0.54) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL9864903 0.75 ALDH1A1 (0.50) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL9865502 0.72 ALDH1A1 (0.43) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL3401686 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9865266 0.70 L3MBTL1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9865195 0.70 LMNA (0.52) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL2134104 0.68 MELK (0.62) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL9865163 0.67 MAPT (0.40) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL6789033 0.66 MAPT (0.43) ALDH1A1LMNANPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1521165-A Thiophene derivative 拜尔农作物科学股份公司 2004-08-18 CN disclosed
WO-2004067527-A1 THIOPHENE DERIVATIVES AS MICROBICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2004-08-12 WO disclosed