SCHEMBL17513896

SCHEMBL17513896

NC(=O)c1ccccc1CC[CH]c1nc(-c2ccc(F)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC2 Q92769 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
FFAR1 O14842 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
SIRT2 Q8IXJ6 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
SCHEMBL17513905 0.89 RAB9A (0.44) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL17513990 0.82 FFAR1 (0.44) CASP3SENP8SENP7NPC1RAB9A
SCHEMBL17513978 0.81 ATM (0.41) SENP7NPC1RAB9AALDH1A1LMNA
SCHEMBL17514014 0.80 ATM (0.53) SENP7NPC1RAB9AALDH1A1KMT2A
SCHEMBL17513914 0.78 NPC1 (0.40) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL17631901 0.78 GRM2 (0.38) NPC1RAB9AALDH1A1HDAC1HDAC8
SCHEMBL17513966 0.78 GRM5 (0.43) CASP3SENP8SENP7NPC1RAB9A
SCHEMBL17513932 0.76 LMNA (0.39) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL18797895 0.76 LMNA (0.38) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL17513891 0.75 CD38 (0.36) NPC1RAB9AALDH1A1LMNAMAPT

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