SCHEMBL7744817

SCHEMBL7744817

CON(C)C(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1COC(=O)Cc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
IDE P14735 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL7745262 0.84 CCR5 (0.43) IDEALDH1A1MAPTMAPK1PTGS1
SCHEMBL7744813 0.83 KMT2A (0.44) IDEALDH1A1PTGS1CYP2C19PTGDR2
SCHEMBL7744732 0.82 ALDH1A1 (0.44) IDEALDH1A1KDM4EMAPTMAPK1
SCHEMBL7745164 0.82 IDE (0.45) IDEALDH1A1MAPTMAPK1PTGS1
SCHEMBL7744835 0.77 IDE (0.46) IDEALDH1A1PTGS1CYP2C19PTGDR2
SCHEMBL7744880 0.76 IDE (0.42) IDEALDH1A1PTGS1CYP2C19PTGDR2
SCHEMBL7745230 0.76 KMT2A (0.40) IDEALDH1A1KDM4EMAPTMAPK1
SCHEMBL7744820 0.76 IDE (0.45) IDEALDH1A1KDM4EMAPTMAPK1
SCHEMBL7744923 0.75 CLK1 (0.43) IDEALDH1A1MAPTPKMMAPK1
SCHEMBL7745238 0.74 CCR5 (0.42) IDEALDH1A1MAPTMAPK1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001002385-A1 1-(QUINOLIN-4-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES AVENTIS CROPSCIENCE S.A. (FR) 2001-01-11 WO disclosed