SCHEMBL5286250

SCHEMBL5286250

Nc1cccc2c1C(=O)c1cccc(Br)c1C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.68
POLB P06746 5/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HTT P42858 1/20 0.61
PTPRC P08575 1/20 0.57
MAOA P21397 3/20 0.52
CSNK1A1 P48729 2/20 0.52
CSNK1D P48730 2/20 0.52
CSNK1G1 Q9HCP0 2/20 0.52
FGR P09769 1/20 0.52
PIM1 P11309 1/20 0.52
DYRK1A Q13627 1/20 0.52
HIPK2 Q9H2X6 1/20 0.52
LCK P06239 1/20 0.51
MAOB P27338 1/20 0.44
PABPC1 P11940 3/20 0.43

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
SCHEMBL11027423 0.90 MEN1 (0.70) ADORA2APOLBMEN1KMT2AALDH1A1
SCHEMBL6904504 0.87 MAOA (0.52) ADORA2APOLBMEN1KMT2AALDH1A1
SCHEMBL64318 0.87 ADORA2A (0.86) ADORA2APOLBMEN1KMT2AALDH1A1
SCHEMBL29944895 0.87 ADORA2A (0.86) ADORA2APOLBMEN1KMT2AALDH1A1
SCHEMBL28221407 0.87 MEN1 (0.77) ADORA2APOLBMEN1KMT2AALDH1A1
Bromide SCHEMBL28221408 0.85 ADORA2A (0.83) ADORA2APOLBMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8643197 0.85 ADORA2A (0.83) ADORA2APOLBMEN1KMT2AALDH1A1
SCHEMBL27611969 0.82 ALDH1A1 (0.50) ADORA2APOLBMEN1KMT2AALDH1A1
SCHEMBL1287132 0.82 ADORA2A (0.64) ADORA2APOLBMEN1KMT2AALDH1A1
SCHEMBL10355769 0.81 MAPT (0.58) ADORA2APOLBMEN1KMT2AALDH1A1

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
EP-1367104-B1 Ink jet recording liquid KONICA CORP (JP) 2007-12-12 EP disclosed
US-6916364-B2 Ink jet recording liquid KONICA CORPORATION (JP) 2005-07-12 US disclosed
US-20030230216-A1 Ink jet recording liquid KONICA CORPORATION (JP) 2003-12-18 US disclosed
EP-1367104-A1 Ink jet recording liquid KONICA CORPORATION (JP) 2003-12-03 EP disclosed