SCHEMBL3709451

SCHEMBL3709451

Brc1ccc2cccnc2c1OC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.42
CHUK O15111 1/20 0.42
PIM1 P11309 3/20 0.40
PIM2 Q9P1W9 3/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
HRH1 P35367 1/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL3718773 0.84 LMNA (0.45) IKBKBPIM1PIM2HTR2AHTR2C
SCHEMBL3715640 0.77 DDB1 (0.53) PIM1PIM2HTR2AHTR2CSLC6A4
SCHEMBL15917169 0.74 NMT1 (0.46) IKBKBCHUKSLC6A4HRH1NMT1
SCHEMBL28559635 0.73 ACVR1B (0.50) IKBKBCHUKPIM1PIM2HRH1
Hydrochloric Acid SCHEMBL18319163 0.73 ACVR1B (0.49) IKBKBCHUKPIM1PIM2HRH1
SCHEMBL18318482 0.72 ACVR1B (0.41) IKBKBCHUKPIM1PIM2LMNA
SCHEMBL18318289 0.72 PRKCZ (0.43) IKBKBCHUKLMNASMN1; SMN2KDM4E
SCHEMBL4539236 0.71 LMNA (0.52) LMNASMN1; SMN2KDM4ECYP3A4MAPT
SCHEMBL28566761 0.71 PRKCZ (0.50) IKBKBCHUKHRH1ROCK1
SCHEMBL3784146 0.70 HTR1A (0.45) IKBKBCHUKPIM1PIM2SLC6A4

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-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed