SCHEMBL6979134

SCHEMBL6979134

COc1ccc(SC#N)c(C)c1SC#N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 5/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
USP2 O75604 1/20 0.33
AR P10275 5/20 0.32
ACHE P22303 1/20 0.31
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL16707459 0.76 ALDH1A1 (0.43) MAPTPOLBALDH1A1USP2SMN1; SMN2
SCHEMBL18254263 0.75 CA1 (0.44) MAPTKDM4EPOLBGAAALDH1A1
SCHEMBL7087445 0.73 AR (0.43) MAPTKDM4EMEN1POLBGAA
SCHEMBL9740449 0.71 IMPDH2 (0.56) MAPTKMT2AALDH1A1IMPDH2IMPDH1
SCHEMBL6932331 0.71 AR (0.51) MAPTKDM4EMEN1POLBGAA
SCHEMBL26944267 0.69 CA12 (0.50) MAPTMEN1KMT2AALDH1A1AR
SCHEMBL16707435 0.69 ALDH1A1 (0.38) MAPTMEN1POLBKMT2AALDH1A1
SCHEMBL3408344 0.68 AR (0.46) MAPTMEN1POLBKMT2AALDH1A1
SCHEMBL5512502 0.68 MAOB (0.50) MAPTMEN1KMT2AALDH1A1AR
SCHEMBL18474675 0.68 NFE2L2 (0.40) MAPTKDM4EKMT2AALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177194-B1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AG (DE) 2003-09-17 EP disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
EP-1177194-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068228-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed