SCHEMBL7745222

SCHEMBL7745222

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MALT1 Q9UDY8 8/20 0.43
IDE P14735 1/20 0.42
CCR5 P51681 1/20 0.40
NTSR1 P30989 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL7744782 0.94 GAA (0.53) GAAMAPTMALT1IDECCR5
SCHEMBL7744874 0.88 MALT1 (0.44) GAAMAPTMALT1IDECCR5
SCHEMBL7744827 0.87 KDM4E (0.49) GAAMAPTMALT1IDECCR5
SCHEMBL7744853 0.85 MAPT (0.46) GAAMAPTMALT1IDECCR5
SCHEMBL7745400 0.85 KDM4E (0.43) GAAMAPTMALT1IDECCR5
SCHEMBL7744834 0.85 GAA (0.46) GAAMAPTMALT1IDECCR5
SCHEMBL7745335 0.83 KMT2A (0.45) MAPTIDECCR5NTSR1OPRM1
SCHEMBL7744802 0.81 CCR5 (0.47) GAAMAPTIDECCR5NTSR1
SCHEMBL7744743 0.80 CCR5 (0.43) MAPTIDECCR5NTSR1OPRM1
SCHEMBL7745260 0.79 NTSR1 (0.42) MAPTIDECCR5NTSR1OPRM1

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