SCHEMBL14865012

SCHEMBL14865012

O=C(O)CCc1ccc(-c2ccccc2)n1-c1cccc(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.82
POLB P06746 4/20 0.82
MAPT P10636 8/20 0.75
ALDH1A1 P00352 5/20 0.75
KDM4E B2RXH2 3/20 0.75
ALOX15 P16050 2/20 0.75
HSD17B10 Q99714 2/20 0.75
ALOX12 P18054 1/20 0.75
MAPK1 P28482 1/20 0.75
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
TP53 P04637 2/20 0.64
PKM P14618 2/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
THRB P10828 1/20 0.59

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
SCHEMBL436611 0.87 NPC1 (0.64) NPC1POLBMAPTALDH1A1KDM4E
SCHEMBL9763027 0.86 MEN1 (0.81) NPC1POLBMAPTALDH1A1KDM4E
SCHEMBL438110 0.81 MAPT (0.70) NPC1POLBMAPTALDH1A1KDM4E
SCHEMBL245490 0.80 MAPT (0.68) NPC1POLBMAPTALDH1A1KDM4E
SCHEMBL3261562 0.78 MEN1 (1.00) POLBMAPTALDH1A1KDM4EALOX15
SCHEMBL246344 0.77 MAPT (0.67) NPC1POLBMAPTALDH1A1KDM4E
SCHEMBL240724 0.76 MAPT (0.62) NPC1POLBMAPTALDH1A1KDM4E
SCHEMBL244828 0.75 MEN1 (0.75) POLBMAPTALDH1A1KDM4EALOX15
SCHEMBL14865047 0.74 MAPT (1.00) POLBMAPTALDH1A1KDM4EALOX15
SCHEMBL243664 0.73 MEN1 (0.70) POLBMAPTALDH1A1KDM4EALOX15

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
EP-2581451-A1 Compounds for inhibiting mammalian s-nitrosoglutathione reductase Indiana University Research and Technology Corporation (US) 2013-04-17 EP disclosed