SCHEMBL7204862

SCHEMBL7204862

Nc1ccc(CC(=O)O)cc1.O=C(O)Cc1ccc(N=Nc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 2/20 0.52
PKM P14618 1/20 0.52
CA2 P00918 2/20 0.50
CAMK2A Q9UQM7 1/20 0.50
AKR1B1 P15121 1/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.47
ABCC4 O15439 1/20 0.47
PTGS1 P23219 1/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 3/20 0.47

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
SCHEMBL1633999 0.90 CA2 (0.60) MAPTMEN1KMT2ANPC1L3MBTL1
SCHEMBL1633998 0.90 CA2 (0.60) MAPTMEN1KMT2ANPC1L3MBTL1
SCHEMBL1331730 0.88 CA2 (0.62) MAPTTDP1HTTCA2CAMK2A
SCHEMBL39103 0.88 CA2 (0.62) MAPTTDP1HTTCA2CAMK2A
Bromide SCHEMBL25328791 0.86 CA2 (0.60) MAPTTDP1HTTCA2CAMK2A
SCHEMBL27871366 0.86 CA2 (0.60) MAPTTDP1HTTCA2CAMK2A
SCHEMBL9644299 0.86 CA2 (0.60) MAPTTDP1HTTCA2CAMK2A
Hydrochloric Acid SCHEMBL5002464 0.86 CA2 (0.60) MAPTTDP1HTTCA2CAMK2A
SCHEMBL1238546 0.86 CA2 (0.60) MAPTTDP1HTTCA2CAMK2A
SCHEMBL3465398 0.84 AKR1B1 (0.64) MAPTRAB9AMEN1KMT2ANPC1

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
EP-1313697-A2 IMMUNOREGULATORY COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE Nobex Corporation (US) 2003-05-28 EP disclosed
WO-2002018324-A2 IMMUNOREGULATORY COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE NOBEX CORPORATION (US) 2002-03-07 WO disclosed