SCHEMBL9541555

SCHEMBL9541555

NCCCCCCC(N)(c1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 4/20 0.54
NR4A2 P43354 1/20 0.47
SOS2 Q07890 1/20 0.47
CYP1A2 P05177 1/20 0.46
CCR1 P32246 1/20 0.44
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE3A Q14432 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KMT5B Q4FZB7 1/20 0.39
KMT5C Q86Y97 1/20 0.39
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
PKM P14618 2/20 0.38

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
SCHEMBL9541527 1.00 FERMT2 (0.54) FERMT2NR4A2SOS2CYP1A2CCR1
SCHEMBL6767175 0.99 FERMT2 (0.55) FERMT2NR4A2SOS2CYP1A2CCR1
SCHEMBL9541547 0.83 NR4A2 (0.54) FERMT2NR4A2SOS2CYP1A2CCR1
SCHEMBL29625395 0.82 FERMT2 (0.52) FERMT2NR4A2SOS2CYP1A2CCR1
SCHEMBL15924563 0.81 LOXL2 (0.46) FERMT2CYP3A4KMT2AMEN1ADRB2
SCHEMBL9542819 0.79 NR4A2 (0.43) FERMT2NR4A2SOS2CYP1A2CCR1
SCHEMBL10751880 0.76 FERMT2 (0.60) FERMT2NR4A2SOS2CYP1A2CCR1
SCHEMBL9542816 0.76 FERMT2 (0.49) FERMT2NR4A2SOS2CYP1A2CCR1
SCHEMBL27484900 0.75 NR4A2 (0.51) FERMT2NR4A2SOS2CYP1A2CCR1
Hydrochloric Acid SCHEMBL27485590 0.74 NR4A2 (0.50) FERMT2NR4A2SOS2CYP1A2CCR1

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