SCHEMBL6587050

SCHEMBL6587050

O=C1NC(c2ccccn2)=NC1(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
BACE1 P56817 2/20 0.51
BLM P54132 2/20 0.51
GLA P06280 2/20 0.51
BACE2 Q9Y5Z0 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 7/20 0.41
HIF1A Q16665 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
DOHH Q9BU89 1/20 0.41

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
SCHEMBL6587379 0.83 BACE1 (0.47) LMNABACE1BLMGLABACE2
SCHEMBL6591928 0.79 BACE1 (0.61) LMNABACE1BLMGLABACE2
SCHEMBL6588437 0.73 BACE1 (0.50) LMNABACE1BLMGLABACE2
SCHEMBL6589473 0.72 BACE1 (0.53) LMNABACE1BLMGLABACE2
SCHEMBL6589904 0.72 BACE1 (0.53) LMNABACE1BLMGLABACE2
SCHEMBL6591279 0.72 BACE1 (0.53) LMNABACE1BLMGLABACE2
SCHEMBL6829481 0.70 KMT2A (0.50) LMNABACE1BLMGLABACE2
SCHEMBL6600448 0.69 BACE1 (0.49) LMNABACE1BLMGLABACE2
SCHEMBL6593173 0.69 KMT2A (0.49) LMNABACE1BLMGLABACE2
SCHEMBL6593802 0.69 BACE1 (0.49) LMNABACE1BLMGLABACE2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066278-A4 IMIDAZOLONE ANORECTIC AGENTS: III. HETEROARYL DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-09-01 EP disclosed
EP-1066278-A1 IMIDAZOLONE ANORECTIC AGENTS: III. HETEROARYL DERIVATIVES Bristol-Myers Squibb Company (US) 2001-01-10 EP disclosed
WO-1999048887-A1 IMIDAZOLONE ANORECTIC AGENTS: III. HETEROARYL DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-30 WO disclosed