SCHEMBL6587379

SCHEMBL6587379

O=C1NC(c2cnccn2)=NC1(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.47
BACE2 Q9Y5Z0 4/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
METAP2 P50579 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPY5R Q15761 2/20 0.37
KCNH2 Q12809 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
PIM1 P11309 1/20 0.35
CTSD P07339 1/20 0.35
CYP3A4 P08684 1/20 0.35
MMP13 P45452 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL6587050 0.83 LMNA (0.51) BACE1BACE2LMNAGLATHRB
SCHEMBL6588437 0.79 BACE1 (0.50) BACE1BACE2LMNAGLATHRB
SCHEMBL6584810 0.76 BACE1 (0.54) BACE1BACE2LMNAGLATHRB
SCHEMBL6591928 0.76 BACE1 (0.61) BACE1BACE2LMNAGLATHRB
SCHEMBL6591279 0.75 BACE1 (0.53) BACE1BACE2LMNAGLATHRB
SCHEMBL4459149 0.72 NISCH (0.41) BACE1BACE2KMT2AMETAP2KDM4E
SCHEMBL6589904 0.69 BACE1 (0.53) BACE1BACE2LMNAGLATHRB
SCHEMBL6589473 0.69 BACE1 (0.53) BACE1BACE2LMNAGLATHRB
SCHEMBL8173896 0.67 KMT2A (0.50) BACE1BACE2LMNAGLATHRB
SCHEMBL6829481 0.67 KMT2A (0.50) BACE1BACE2LMNAGLATHRB

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 4 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
US-6096745-A EATING DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 2000-08-01 US disclosed
WO-1999048887-A1 IMIDAZOLONE ANORECTIC AGENTS: III. HETEROARYL DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-30 WO disclosed