SCHEMBL6600448

SCHEMBL6600448

O=C1NC(c2cccc(I)c2)=NC1(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.49
BACE2 Q9Y5Z0 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
METAP2 P50579 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
CTSD P07339 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
SCHEMBL6591928 0.84 BACE1 (0.61) BACE1BACE2LMNAGLATHRB
SCHEMBL8183941 0.83 BACE1 (0.58) BACE1BACE2LMNAGLATHRB
SCHEMBL6593173 0.82 KMT2A (0.49) BACE1BACE2LMNAGLATHRB
SCHEMBL6591931 0.82 BACE1 (0.49) BACE1BACE2LMNAGLATHRB
SCHEMBL6587931 0.82 BACE1 (0.49) BACE1BACE2LMNAGLATHRB
SCHEMBL6593802 0.82 BACE1 (0.49) BACE1BACE2LMNAGLATHRB
SCHEMBL6595107 0.79 KMT2A (0.46) BACE1BACE2LMNAGLATHRB
SCHEMBL6590716 0.78 LMNA (0.45) BACE1BACE2LMNAGLATHRB
SCHEMBL8182638 0.78 BACE1 (0.45) BACE1BACE2LMNAGLATHRB
SCHEMBL6590780 0.78 BACE1 (0.49) 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-1066279-A4 IMIDAZOLONE ANORECTIC AGENTS: II. PHENYL DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-09-08 EP disclosed
EP-1066279-A1 IMIDAZOLONE ANORECTIC AGENTS: II. PHENYL DERIVATIVES Bristol-Myers Squibb Company (US) 2001-01-10 EP disclosed
US-6054590-A NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR TREATMENT OF EATING DISORDERS AND PROMOTING WEIGHT LOSS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-25 US disclosed
WO-1999048888-A1 IMIDAZOLONE ANORECTIC AGENTS: II. PHENYL DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-30 WO disclosed