SCHEMBL9542816

SCHEMBL9542816

CC(CCCN)C(N)(c1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 4/20 0.49
NR4A2 P43354 3/20 0.43
SOS2 Q07890 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PRNP P04156 1/20 0.42
APP P05067 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
NQO2 P16083 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
MTOR P42345 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL9541492 0.80 NR4A2 (0.51) FERMT2NR4A2SOS2CYP1A2TDP1
SCHEMBL29625395 0.79 FERMT2 (0.52) FERMT2NR4A2SOS2CYP1A2CYP2D6
SCHEMBL29577674 0.77 NR4A2 (0.48) FERMT2NR4A2SOS2CYP1A2CYP2D6
SCHEMBL29577653 0.77 NR4A2 (0.48) FERMT2NR4A2SOS2CYP1A2CYP2D6
SCHEMBL6767175 0.77 FERMT2 (0.55) FERMT2NR4A2SOS2CYP1A2TDP1
SCHEMBL18281267 0.77 FERMT2 (0.46) FERMT2NR4A2SOS2CYP1A2TDP1
SCHEMBL9541527 0.76 FERMT2 (0.54) FERMT2NR4A2SOS2CYP1A2TDP1
SCHEMBL9541555 0.76 FERMT2 (0.54) FERMT2NR4A2SOS2CYP1A2TDP1
SCHEMBL9542819 0.76 NR4A2 (0.43) FERMT2NR4A2SOS2CYP1A2CYP2D6
SCHEMBL27484900 0.75 NR4A2 (0.51) FERMT2NR4A2SOS2CYP1A2CYP2D6

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-1993007126-A1 ANTIMALARIAL BISQUINOLINES BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-04-15 WO disclosed