SCHEMBL6947512

SCHEMBL6947512

CC(=O)C(N)CNc1cccc[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC2A1 P11166 1/20 0.35
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
SLC7A5 Q01650 1/20 0.33
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 3/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
ANPEP P15144 1/20 0.30
RNPEP Q9H4A4 1/20 0.30
DNPEP Q9ULA0 1/20 0.30

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
SCHEMBL11316710 0.74 HSD17B10 (0.45) TDP1KDM4ESLC2A1PKMALDH1A1
SCHEMBL6947506 0.73 CA12 (0.47) TDP1KDM4ESLC2A1ALDH1A1
SCHEMBL7711293 0.69 SLC2A1 (0.49) TDP1KDM4ESLC2A1ALDH1A1MAPT
SCHEMBL6963178 0.68 KMT2A (0.34) TDP1KDM4ESLC2A1ALDH1A1KMT2A
SCHEMBL10504892 0.67 GAA (0.40) TDP1KDM4ESLC2A1ALDH1A1MAPT
SCHEMBL6951347 0.67 CA12 (0.38) TDP1KDM4EALDH1A1KMT2ALMNA
SCHEMBL6860751 0.67 SLC2A1 (0.47) TDP1KDM4ESLC2A1ALDH1A1MAPT
SCHEMBL8180111 0.66 ALDH1A1 (0.42) TDP1KDM4ESLC2A1ALDH1A1MAPT
SCHEMBL17627325 0.65 KDM4E (0.41) TDP1KDM4ESLC2A1ALDH1A1MAPT
SCHEMBL14182015 0.65 NPSR1 (0.38) TDP1KDM4EPKMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed