SCHEMBL7945856

SCHEMBL7945856

O=c1c([I+]c2ccccc2)c([O-])c2cccnc2n1CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PLK1 P53350 3/20 0.47
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CASR P41180 3/20 0.42
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HKDC1 Q2TB90 1/20 0.39

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
SCHEMBL5871960 0.88 CNR1 (0.45) HDAC1HDAC11HDAC8HDAC6MAPT
SCHEMBL5872030 0.87 PDE4D (0.43) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL5872307 0.85 CCNA2 (0.39) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL5871920 0.81 FEN1 (0.45) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL5872204 0.79 MAPT (0.53) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL5871709 0.77 FEN1 (0.50) MAPTALDH1A1KDM4EPDE4APDE4B
SCHEMBL5871439 0.77 LIPG (0.43) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7945833 0.77 L3MBTL1 (0.51) MAPTTP53ALDH1A1SMN1; SMN2LMNA
SCHEMBL7954338 0.73 PTGDR2 (0.41) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL5872145 0.71 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed