SCHEMBL7745335

SCHEMBL7745335

COCc1c(C(=O)NNC(C)(C)C)cnn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
IDE P14735 3/20 0.45
MEN1 O00255 3/20 0.45
CCR5 P51681 1/20 0.44
CLK1 P49759 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NTSR1 P30989 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7744834 0.86 GAA (0.46) KMT2AIDEMEN1CCR5CLK1
SCHEMBL7745400 0.86 KDM4E (0.43) KMT2AIDEMEN1CCR5CLK1
SCHEMBL7744802 0.86 CCR5 (0.47) KMT2AIDEMEN1CCR5CLK1
SCHEMBL7744827 0.85 KDM4E (0.49) IDECCR5CLK1ALDH1A1KDM4E
SCHEMBL7744782 0.85 GAA (0.53) IDECCR5CLK1ALDH1A1KDM4E
SCHEMBL7744874 0.84 MALT1 (0.44) IDECCR5CLK1KDM4EMAPT
SCHEMBL7744853 0.84 MAPT (0.46) KMT2AIDEMEN1CCR5CLK1
SCHEMBL7744743 0.84 CCR5 (0.43) KMT2AIDEMEN1CCR5CLK1
SCHEMBL7745222 0.83 GAA (0.47) IDECCR5KDM4EMAPTNTSR1
SCHEMBL7745248 0.82 CCR5 (0.45) KMT2AIDEMEN1CCR5CLK1

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