SCHEMBL7744782

SCHEMBL7744782

COCc1c(C(=O)NNc2cccc(Cl)c2)cnn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
GFER P55789 1/20 0.45
MALT1 Q9UDY8 5/20 0.44
CCR5 P51681 1/20 0.42
IDE P14735 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
NTSR1 P30989 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CLK1 P49759 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7745222 0.94 GAA (0.47) GAAMAPTMALT1CCR5IDE
SCHEMBL7744874 0.91 MALT1 (0.44) GAAMAPTMALT1CCR5IDE
SCHEMBL7744827 0.90 KDM4E (0.49) GAAMAPTMALT1CCR5IDE
SCHEMBL7744853 0.87 MAPT (0.46) GAAMAPTMALT1CCR5IDE
SCHEMBL7745400 0.87 KDM4E (0.43) GAAMAPTMALT1CCR5IDE
SCHEMBL7744834 0.87 GAA (0.46) GAAMAPTMALT1CCR5IDE
SCHEMBL7745335 0.85 KMT2A (0.45) MAPTCCR5IDEALDH1A1POLB
SCHEMBL7744802 0.83 CCR5 (0.47) GAAMAPTCCR5IDEALDH1A1
SCHEMBL7744743 0.82 CCR5 (0.43) MAPTCCR5IDEALDH1A1POLB
SCHEMBL7745260 0.81 NTSR1 (0.42) MAPTCCR5IDENTSR1OPRM1

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