SCHEMBL8871972

SCHEMBL8871972

Clc1ccc2c(-n3cc(Cl)cn3)ccnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
HSD17B10 Q99714 1/20 0.56
GRM4 Q14833 1/20 0.55
CHKA P35790 1/20 0.55
ADRB2 P07550 1/20 0.52
NCF1 P14598 1/20 0.52
KMT2A Q03164 3/20 0.49
CYP3A4 P08684 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD3 P35462 1/20 0.49
OPRK1 P41145 1/20 0.49
PDE4D Q08499 1/20 0.49
KCNH2 Q12809 1/20 0.49
PDE3A Q14432 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NR4A2 P43354 1/20 0.49
SOS2 Q07890 1/20 0.49

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
SCHEMBL8871286 0.87 PKM (0.52) PKMALOX15CASP1HSD17B10GRM4
SCHEMBL8870705 0.84 PKM (0.49) PKMALOX15CASP1HSD17B10GRM4
SCHEMBL8871837 0.82 RXFP1 (0.58) PKMALOX15CASP1HSD17B10GRM4
SCHEMBL8870692 0.82 PKM (0.47) PKMALOX15CASP1HSD17B10GRM4
SCHEMBL8871447 0.82 PKM (0.47) PKMALOX15CASP1HSD17B10GRM4
SCHEMBL8871450 0.82 PKM (0.47) PKMALOX15CASP1HSD17B10GRM4
SCHEMBL8871343 0.82 CLK1 (0.48) PKMALOX15CASP1HSD17B10GRM4
SCHEMBL8871809 0.80 ALDH1A1 (0.46) PKMALOX15CASP1HSD17B10GRM4
SCHEMBL8870772 0.80 KMT2A (0.46) PKMALOX15CASP1HSD17B10GRM4
SCHEMBL8872345 0.79 PKM (0.44) PKMALOX15CASP1HSD17B10GRM4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8143407-A None JP disclosed
US-5622914-A APPLYING A PYRAZOLYL OR IMIDAZOLYL QUINOLINE DERIVATIVE; PLANT DISEASE CONTROL NIHON BAYER AGROCHEM K.K. (JP) 1997-04-22 US disclosed
JP-H08143407-A ANTIMICROBIAL QUINOLINE DERIVATIVE NIPPON BAYERAGROCHEM KK 1996-06-04 JP disclosed
EP-0703234-A1 Microbicidal Quinoline Derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-03-27 EP disclosed