SCHEMBL5713477

SCHEMBL5713477

CCCCC(=O)NCc1ccc(C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.56
ADORA1 P30542 14/20 0.56
ADORA2B P29275 4/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL5713453 0.95 ADORA2A (0.58) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713488 0.92 ADORA2A (0.58) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713456 0.92 ADORA2A (0.59) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713446 0.90 ADORA2A (0.59) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713473 0.89 ADORA2A (0.61) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713505 0.87 ADORA2A (0.61) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3049355 0.87 ADORA2A (0.63) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3056366 0.87 ADORA2A (0.65) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713450 0.86 ADORA2A (0.61) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713476 0.86 ADORA2A (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450797-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-06-21 EP claimed