SCHEMBL17632279

SCHEMBL17632279

N[C@H](COCc1ccccc1)c1nc(-c2c(Cl)cccc2Cl)no1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.43
NR1H4 Q96RI1 1/20 0.36
SLC1A1 P43005 1/20 0.36
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
HCAR2 Q8TDS4 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAPK14 Q16539 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL17513980 0.82 ALDH1A1 (0.38) S1PR4S1PR1S1PR3S1PR5HCAR2
SCHEMBL24660578 0.79 TP53 (0.43) HCAR2KMT2A
Hydrochloric Acid SCHEMBL29463511 0.78 TP53 (0.43) HCAR2KMT2A
Hydrochloric Acid SCHEMBL22637899 0.78 TP53 (0.43) HCAR2KMT2A
SCHEMBL17514020 0.77 SMN1; SMN2 (0.51) S1PR1KMT2ACA1CA2CA9
SCHEMBL17513877 0.76 TSHR (0.38) TACR1MAPK14
SCHEMBL4248899 0.73 SENP7 (0.37) NR1H4KMT2A
SCHEMBL17514015 0.71 KMT2A (0.47) KMT2A
SCHEMBL12061519 0.70 TACR1 (0.48) TACR1SLC1A1CA1CA2CA7
SCHEMBL15875270 0.67 L3MBTL1 (0.50) NR1H4S1PR1HCAR2

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 2 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
WO-2016048488-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2016-03-31 WO disclosed