SCHEMBL17513938

SCHEMBL17513938

NC(=O)c1cccc(Cl)c1-c1noc([CH]CCc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA13 Q8N1Q1 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.38
PARP1 P09874 4/20 0.37
PARP2 Q9UGN5 2/20 0.37
TSHR P16473 1/20 0.37
FFAR1 O14842 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL17513904 0.88 GPR52 (0.43) NPC1RAB9AATMPARP1PARP2
SCHEMBL17513978 0.86 ATM (0.41) NPC1RAB9AATMPARP1TSHR
SCHEMBL17513997 0.80 GRM5 (0.41) NPC1RAB9APARP1GPR52ALDH1A1
SCHEMBL17514014 0.78 ATM (0.53) NPC1RAB9AATMTSHRFFAR1
SCHEMBL17514002 0.77 RAB9A (0.40) NPC1RAB9AATMTSHRL3MBTL1
SCHEMBL17513922 0.77 NPC1 (0.38) NPC1RAB9ATSHRFFAR1POLB
SCHEMBL17513894 0.76 ALOX5 (0.36) CA12CA1CA2CA3CA4
SCHEMBL17513901 0.74 GPR52 (0.40) NPC1RAB9ATSHRPOLBL3MBTL1
SCHEMBL17513952 0.73 NPC1 (0.46) NPC1RAB9AATMTSHRFFAR1
SCHEMBL17632277 0.73 NPC1 (0.34) NPC1RAB9AATMPARP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2016028826-A1 METHODS OF TREATING MILD BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2016-02-25 WO disclosed