SCHEMBL5696167

SCHEMBL5696167

Cc1cccc2c1NC(=S)NC2c1cccc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.57
GUSB P08236 2/20 0.51
KIF11 P52732 5/20 0.40
ALDH1A1 P00352 9/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5696196 0.83 DHFR (0.51) DHFRGUSBKIF11ALDH1A1LMNA
SCHEMBL29357488 0.79 DHFR (0.54) DHFRGUSBKIF11ALDH1A1L3MBTL1
SCHEMBL5696233 0.79 DHFR (0.54) DHFRGUSBKIF11ALDH1A1L3MBTL1
SCHEMBL9701173 0.74 DHFR (0.62) DHFRGUSBKIF11ALDH1A1L3MBTL1
SCHEMBL5176445 0.73 DHFR (0.51) DHFRGUSBKIF11ALDH1A1L3MBTL1
SCHEMBL14164082 0.73 DHFR (1.00) DHFRGUSBKIF11ALDH1A1L3MBTL1
SCHEMBL5696249 0.73 DHFR (0.51) DHFRGUSBKIF11ALDH1A1HTT
SCHEMBL20522105 0.73 DHFR (0.81) DHFRGUSBKIF11ALDH1A1L3MBTL1
SCHEMBL5696188 0.72 DHFR (0.50) DHFRGUSBKIF11LMNAMAPK1
SCHEMBL5696173 0.72 DHFR (0.50) DHFRGUSBKIF11ALDH1A1MEN1

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
EP-1655289-A1 Quinazoline derivatives, process for their preparation, their use as antimitotics and pharmaceutical compositions comprising said derivatives EMBL (DE) 2006-05-10 EP disclosed