SCHEMBL17513876

SCHEMBL17513876

NC(=O)c1cccnc1-c1noc([CH]COCc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.37
RPS6KB1 P23443 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PARP1 P09874 2/20 0.36
PARP10 Q53GL7 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ROCK2 O75116 1/20 0.35
TSHR P16473 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PPIA P62937 2/20 0.35
SYK P43405 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
HTT P42858 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL17632072 0.85 NPC1 (0.48) GRM5RAB9ANPC1PARP1PARP10
SCHEMBL17513997 0.84 GRM5 (0.41) GRM5RAB9ANPC1RPS6KB1EGLN1
SCHEMBL17632277 0.79 NPC1 (0.34) RAB9ANPC1PARP1PARP10SENP7
SCHEMBL17514018 0.75 KMT2A (0.35) RAB9ANPC1L3MBTL1TSHRCASP3
SCHEMBL4248899 0.71 SENP7 (0.37) RAB9ANPC1L3MBTL1TSHRCASP3
SCHEMBL4988520 0.70 SIRT2 (0.43) NPC1PARP1PARP10TSHRSIRT2
SCHEMBL17513904 0.66 GPR52 (0.43) RAB9ANPC1PARP1L3MBTL1TSHR
SCHEMBL6302868 0.66 L3MBTL1 (0.52) RAB9APOLBRPS6KB1PARP1PARP10
SCHEMBL27668367 0.66 L3MBTL1 (0.58) RAB9APOLBRPS6KB1PARP1PARP10
SCHEMBL3252093 0.66 PPIA (0.47) RAB9ANPC1POLBRPS6KB1PPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197482-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY Oxeia Biopharmaceuticals Inc. (US) 2017-08-02 EP disclosed
EP-3182992-A1 METHODS OF TREATING MILD BRAIN INJURY Oxeia Biopharmaceuticals Inc. (US) 2017-06-28 EP disclosed
WO-2017075535-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-05-04 WO disclosed
WO-2016048488-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2016-03-31 WO disclosed
WO-2016028826-A1 METHODS OF TREATING MILD BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2016-02-25 WO disclosed