SCHEMBL3814715

SCHEMBL3814715

CC(C)(C)OC(=O)c1ccc2nc(OI)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.40
HTT P42858 2/20 0.40
PDE4B Q07343 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL1285638 0.84 SRC (0.42) ALOX15HTTPDE4BGABRA1GABRG2
SCHEMBL31429017 0.81 MEN1 (0.51) ALOX15HTTGABRA1GABRG2GABRB3
SCHEMBL4987847 0.80 NCF1 (0.46) ALOX15HTTGABRA1GABRG2GABRB3
SCHEMBL8390404 0.78 GABRA1 (0.50) ALOX15GABRA1GABRG2GABRB3GABRA3
SCHEMBL24977227 0.78 KDM4E (0.40) ALOX15HTTGABRA1GABRG2GABRB3
SCHEMBL31428804 0.78 KDM4E (0.40) ALOX15HTTGABRA1GABRG2GABRB3
SCHEMBL909531 0.78 CA12 (0.43) ALOX15HTTGABRA1GABRG2GABRB3
SCHEMBL27609051 0.77 GRM1 (0.40) ALOX15HTTGABRA1GABRG2GABRB3
SCHEMBL1645338 0.76 HPGDS (0.42) ALOX15HTTGABRA1GABRG2GABRB3
SCHEMBL1839209 0.76 CA12 (0.41) ALOX15HTTPDE4BGABRA1GABRG2

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-2091944-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer, Inc. (US) 2009-08-26 EP disclosed
WO-2008059370-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-22 WO disclosed