SCHEMBL7146008

SCHEMBL7146008

COc1ccc(N2CCOCC2)c2sc(NC(=O)c3ccc(CCBr)cc3)nc12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.62
ADORA1 P30542 14/20 0.62
ADORA2B P29275 5/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ADORA3 P0DMS8 2/20 0.59

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
SCHEMBL3056366 0.90 ADORA2A (0.65) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713516 0.89 ADORA2A (0.64) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3053641 0.89 ADORA2A (0.64) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3044761 0.89 ADORA2A (0.64) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL7149427 0.89 ADORA2A (0.67) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3049495 0.89 ADORA2A (0.63) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3049355 0.89 ADORA2A (0.63) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3053117 0.88 ADORA2A (0.61) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL28412423 0.87 ADORA2A (0.68) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL28416866 0.87 ADORA2A (0.68) ADORA2AADORA1ADORA2BMEN1KMT2A

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-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 WO disclosed