SCHEMBL2779111

SCHEMBL2779111

O=C(Cl)c1ccc2onnc2c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30

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
SCHEMBL2776562 0.84 TDP1 (0.44) ALDH1A1TSHR
SCHEMBL15019261 0.82 TSHR (0.40) TSHR
SCHEMBL18184676 0.78 ATM (0.44) CTNNB1WNT3AALDH1A1TSHR
SCHEMBL20364682 0.78 KDM4E (0.46) HDAC6ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL11595564 0.70 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13080227 0.69 HDAC6 (0.40) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL548652 0.68 GRIA3 (0.54) ALDH1A1HDAC3HDAC1GRIA3GRIA4
SCHEMBL31605579 0.68 CHRNA7 (0.45) HDAC6CTNNB1WNT3AALDH1A1TSHR
SCHEMBL7325912 0.68 CD40 (0.38) ALDH1A1TSHR
SCHEMBL11747762 0.67 TTR (0.50) ALDH1A1

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
WO-2010087980-A2 BICYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DEPRESSION CORTEX PHARMACEUTICALS, INC. (US) 2010-08-05 WO disclosed
EP-2187888-A2 BICYCLIC AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-05-26 EP disclosed
EP-2154970-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-02-24 EP disclosed
WO-2009023126-A2 BICYCLIC AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-02-19 WO disclosed
WO-2008143963-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed