SCHEMBL17514014

SCHEMBL17514014

NC(=O)c1ccccc1CC[CH]c1nc(-c2ccccc2Cl)no1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.41
SENP7 Q9BQF6 1/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL17513978 0.90 ATM (0.41) ATMMAPTHPGDNPSR1ALDH1A1
SCHEMBL17513966 0.89 GRM5 (0.43) ATMMAPTHPGDNPSR1HDAC1
SCHEMBL18797895 0.83 LMNA (0.38) ATMMAPTALDH1A1TSHRRAB9A
SCHEMBL17513960 0.81 L3MBTL1 (0.43) ATMALDH1A1RAB9ANPC1
SCHEMBL17513905 0.80 RAB9A (0.44) MAPTHDAC1HDAC8ALDH1A1RAB9A
SCHEMBL17513896 0.80 CASP3 (0.46) MAPTHPGDHDAC1HDAC2HDAC8
SCHEMBL17513938 0.78 CA12 (0.39) ATMMAPTFFAR1ALDH1A1TSHR
SCHEMBL17513990 0.78 FFAR1 (0.44) MAPTFFAR1ALDH1A1TSHRRAB9A
SCHEMBL14931632 0.76 ATM (0.56) ATMMAPTHPGDNPSR1HDAC1
SCHEMBL17513891 0.75 CD38 (0.36) MAPTALDH1A1TSHRRAB9ANPC1

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