SCHEMBL8871837

SCHEMBL8871837

CC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.58
CLK1 P49759 1/20 0.54
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
STAT3 P40763 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IDE P14735 3/20 0.48
CCR5 P51681 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CHKA P35790 1/20 0.46
GRM4 Q14833 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8871343 0.88 CLK1 (0.48) RXFP1CLK1KMT2AMEN1MAPK1
SCHEMBL8871972 0.82 PKM (0.56) CLK1KMT2AMEN1MAPK1ALDH1A1
SCHEMBL8871286 0.78 PKM (0.52) CLK1KMT2AMEN1MAPK1ALDH1A1
SCHEMBL8870692 0.76 PKM (0.47) RXFP1CLK1KMT2AMEN1ALDH1A1
SCHEMBL8871450 0.76 PKM (0.47) RXFP1CLK1KMT2AMEN1ALDH1A1
SCHEMBL8871447 0.76 PKM (0.47) RXFP1CLK1KMT2AMEN1ALDH1A1
SCHEMBL8870705 0.75 PKM (0.49) CLK1KMT2AMEN1MAPK1ALDH1A1
SCHEMBL7747571 0.75 CLK1 (0.53) RXFP1CLK1KMT2AMEN1MAPK1
SCHEMBL8870772 0.74 KMT2A (0.46) RXFP1CLK1KMT2AMEN1ALDH1A1
SCHEMBL8871809 0.74 ALDH1A1 (0.46) CLK1KMT2AMEN1ALDH1A1IDE

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
US-5622914-A APPLYING A PYRAZOLYL OR IMIDAZOLYL QUINOLINE DERIVATIVE; PLANT DISEASE CONTROL NIHON BAYER AGROCHEM K.K. (JP) 1997-04-22 US disclosed
EP-0703234-A1 Microbicidal Quinoline Derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-03-27 EP disclosed