SCHEMBL7745260

SCHEMBL7745260

COCc1c(C(=O)NN(C)c2ccccc2)cnn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 5/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CCR5 P51681 1/20 0.41
IDE P14735 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
CHKA P35790 1/20 0.40
PDGFRB P09619 1/20 0.40
CLK1 P49759 1/20 0.39
LMNA P02545 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
SCHEMBL7744802 0.84 CCR5 (0.47) NTSR1MAPTMAPK1CCR5IDE
SCHEMBL7744853 0.82 MAPT (0.46) NTSR1KDM4EMAPTMAPK1CCR5
SCHEMBL7745335 0.82 KMT2A (0.45) NTSR1KDM4EMAPTMAPK1CCR5
SCHEMBL7745262 0.82 CCR5 (0.43) MAPTMAPK1CCR5IDECLK1
SCHEMBL7744782 0.81 GAA (0.53) NTSR1KDM4EMAPTMAPK1CCR5
SCHEMBL7744827 0.81 KDM4E (0.49) NTSR1KDM4EMAPTMAPK1CCR5
SCHEMBL7744834 0.80 GAA (0.46) NTSR1KDM4EMAPTMAPK1CCR5
SCHEMBL7744743 0.80 CCR5 (0.43) NTSR1KDM4EMAPTMAPK1CCR5
SCHEMBL7745400 0.80 KDM4E (0.43) NTSR1KDM4EMAPTMAPK1CCR5
SCHEMBL7744835 0.80 IDE (0.46) CCR5IDECLK1LMNASMN1; SMN2

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