SCHEMBL8103530

SCHEMBL8103530

N#Cc1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.64
CA2 P00918 5/20 0.64
CA7 P43166 5/20 0.64
CA9 Q16790 5/20 0.64
CA14 Q9ULX7 5/20 0.64
DRD3 P35462 3/20 0.53
DRD2 P14416 2/20 0.53
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.47
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
TMEM97 Q5BJF2 1/20 0.45
NAMPT P43490 2/20 0.45
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
TRPA1 O75762 1/20 0.45
PRMT5 O14744 1/20 0.44

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
SCHEMBL7380773 0.79 ALDH1A1 (0.52) CA1CA2MAPTALDH1A1NAMPT
SCHEMBL4739367 0.76 CA1 (0.62) CA1CA2CA7CA9CA14
SCHEMBL4437238 0.75 NAMPT (0.53) ALDH1A1NAMPT
SCHEMBL7828410 0.75 ALDH1A1 (0.55) CA1CA2MAPTALDH1A1NAMPT
SCHEMBL3046120 0.74 KMT2A (0.63) CA1CA2CA7CA9CA14
SCHEMBL24502245 0.74 ALDH1A1 (0.48) ALDH1A1NAMPT
SCHEMBL26525246 0.74 GPR183 (0.51) MAPTALDH1A1NAMPT
SCHEMBL31387922 0.73 HPGD (0.68) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL31387924 0.73 HPGD (0.68) MAPTMAPK1MEN1KMT2AALDH1A1
Ethylene SCHEMBL7964704 0.73 ALDH1A1 (0.52) CA1CA2MAPTALDH1A1NAMPT

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
US-6117910-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed