SCHEMBL7220780

SCHEMBL7220780

Cc1nc(-c2cccc(C(=O)CC(=O)O)c2)co1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.49
MAPT P10636 1/20 0.47
ERCC5 P28715 2/20 0.44
FEN1 P39748 2/20 0.44
SCN9A Q15858 1/20 0.43
TP53 P04637 4/20 0.42
POLB P06746 2/20 0.42
ENPP1 P22413 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
PARP1 P09874 1/20 0.40
NPC1 O15118 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
THRB P10828 1/20 0.39
GRM5 P41594 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
SCHEMBL6163245 0.84 ENPP3 (0.55) ENPP3MAPTSCN9AENPP1NPC1
SCHEMBL6167491 0.83 MAPT (0.45) ENPP3MAPTERCC5FEN1SCN9A
SCHEMBL6162997 0.81 MAPT (0.54) ENPP3MAPTSCN9AENPP1MEN1
SCHEMBL27615906 0.79 GRM5 (0.50) ERCC5FEN1MEN1KMT2ANPC1
SCHEMBL27615980 0.77 ERCC5 (0.53) MAPTERCC5FEN1MEN1KMT2A
SCHEMBL27615894 0.76 LDHA (0.46) ERCC5FEN1GRM5
SCHEMBL27597132 0.76 MAPT (0.53) MAPTERCC5FEN1POLB
SCHEMBL27597148 0.75 ERCC5 (0.47) MAPTERCC5FEN1MEN1KMT2A
SCHEMBL27615888 0.75 LARS1 (0.50) MAPTERCC5FEN1MEN1KMT2A
SCHEMBL14564372 0.75 ENPP3 (0.71) ENPP3SCN9ATP53POLBENPP1

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-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed