SCHEMBL7744853

SCHEMBL7744853

COCc1c(C(=O)NNc2ccccc2Cl)cnn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCR5 P51681 1/20 0.41
IDE P14735 1/20 0.41
NTSR1 P30989 3/20 0.41
MALT1 Q9UDY8 2/20 0.41
CLK1 P49759 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
SCHEMBL7745400 0.93 KDM4E (0.43) MAPTKMT2AMEN1TDP1KDM4E
SCHEMBL7744834 0.93 GAA (0.46) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL7744827 0.91 KDM4E (0.49) MAPTKDM4EMAPK1ALDH1A1GAA
SCHEMBL7744782 0.87 GAA (0.53) MAPTKDM4EMAPK1ALDH1A1GAA
SCHEMBL7744874 0.86 MALT1 (0.44) MAPTKDM4EGAACCR5IDE
SCHEMBL7745222 0.85 GAA (0.47) MAPTKDM4EGAACCR5IDE
SCHEMBL7745335 0.84 KMT2A (0.45) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL7744802 0.83 CCR5 (0.47) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7745260 0.82 NTSR1 (0.42) MAPTKDM4EMAPK1LMNASMN1; SMN2
SCHEMBL7744743 0.81 CCR5 (0.43) MAPTKMT2AMEN1KDM4EMAPK1

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