SCHEMBL9541547

SCHEMBL9541547

NCC(N)(c1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.54
SOS2 Q07890 1/20 0.54
FERMT2 Q96AC1 3/20 0.51
CYP1A2 P05177 1/20 0.49
CCR1 P32246 1/20 0.47
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PRNP P04156 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CHKA P35790 1/20 0.42
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL27484900 0.85 NR4A2 (0.51) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL6767175 0.84 FERMT2 (0.55) NR4A2SOS2FERMT2CYP1A2CCR1
Hydrochloric Acid SCHEMBL27485590 0.84 NR4A2 (0.50) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL9541527 0.83 FERMT2 (0.54) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL9541555 0.83 FERMT2 (0.54) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL9542819 0.80 NR4A2 (0.43) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL29625395 0.77 FERMT2 (0.52) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL669631 0.77 NR4A2 (0.56) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL2608428 0.77 NR4A2 (0.56) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL18710418 0.76 NR4A2 (0.51) NR4A2SOS2FERMT2CYP1A2CCR1

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