SCHEMBL7744827

SCHEMBL7744827

COCc1c(C(=O)NNc2c(Cl)cccc2Cl)cnn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MALT1 Q9UDY8 5/20 0.43
CCR5 P51681 1/20 0.42
IDE P14735 1/20 0.42
NTSR1 P30989 2/20 0.41
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 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
SCHEMBL7744853 0.91 MAPT (0.46) KDM4EMALT1CCR5IDENTSR1
SCHEMBL7744782 0.90 GAA (0.53) KDM4EMALT1CCR5IDENTSR1
SCHEMBL7745400 0.89 KDM4E (0.43) KDM4EMALT1CCR5IDENTSR1
SCHEMBL7744834 0.89 GAA (0.46) KDM4EMALT1CCR5IDENTSR1
SCHEMBL7745222 0.87 GAA (0.47) KDM4EMALT1CCR5IDENTSR1
SCHEMBL7744874 0.87 MALT1 (0.44) KDM4EMALT1CCR5IDEMAPT
SCHEMBL7745335 0.85 KMT2A (0.45) KDM4ECCR5IDENTSR1ALDH1A1
SCHEMBL7744802 0.83 CCR5 (0.47) CCR5IDENTSR1ALDH1A1MAPT
SCHEMBL7744743 0.82 CCR5 (0.43) KDM4ECCR5IDENTSR1ALDH1A1
SCHEMBL7745260 0.81 NTSR1 (0.42) KDM4ECCR5IDENTSR1OPRM1

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