SCHEMBL17514002

SCHEMBL17514002

NC(=O)c1ccncc1-c1noc([CH]CCc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
GPR52 Q9Y2T5 2/20 0.39
GRM5 P41594 1/20 0.38
KDM6B O15054 6/20 0.37
KDM4C Q9H3R0 6/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4D Q6B0I6 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4A O75164 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL17513922 0.80 NPC1 (0.38) RAB9ANPC1GPR52ALDH1A1KDM4E
SCHEMBL17513997 0.80 GRM5 (0.41) RAB9ANPC1GPR52GRM5ALDH1A1
SCHEMBL17513904 0.78 GPR52 (0.43) RAB9ANPC1GPR52ALDH1A1KDM4E
SCHEMBL17513938 0.77 CA12 (0.39) RAB9ANPC1GPR52ALDH1A1MAPT
SCHEMBL17514012 0.76 FFAR1 (0.37) RAB9ANPC1GPR52ALDH1A1MAPK1
SCHEMBL17513952 0.73 NPC1 (0.46) RAB9ANPC1ALDH1A1HTTMAPT
SCHEMBL17513894 0.73 ALOX5 (0.36) RAB9ANPC1GPR52ALDH1A1TSHR
SCHEMBL17632072 0.72 NPC1 (0.48) RAB9ANPC1GRM5ALDH1A1MAPK1
SCHEMBL17514014 0.71 ATM (0.53) RAB9ANPC1ALDH1A1MAPTTSHR
SCHEMBL17513966 0.71 GRM5 (0.43) RAB9ANPC1GRM5ALDH1A1MAPT

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 4 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-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