SCHEMBL6829481

SCHEMBL6829481

O=C1NC(c2cccs2)=NC1(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
GLA P06280 3/20 0.50
CYP2C9 P11712 2/20 0.50
BACE1 P56817 1/20 0.50
BACE2 Q9Y5Z0 1/20 0.50
THRB P10828 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HPGD P15428 6/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
F2 P00734 1/20 0.42
PKM P14618 1/20 0.42
GLP1R P43220 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.37

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 0.78 BACE1 (0.61) KMT2ALMNAGLACYP2C9BACE1
SCHEMBL4275648 0.72 NISCH (0.41) LMNAGLACYP2C9HPGDALDH1A1
SCHEMBL6589904 0.71 BACE1 (0.53) KMT2ALMNAGLACYP2C9BACE1
SCHEMBL6591279 0.71 BACE1 (0.53) KMT2ALMNAGLACYP2C9BACE1
SCHEMBL6589473 0.71 BACE1 (0.53) KMT2ALMNAGLACYP2C9BACE1
SCHEMBL6590512 0.71 BACE1 (0.49) KMT2ALMNAGLACYP2C9BACE1
SCHEMBL6587050 0.70 LMNA (0.51) KMT2ALMNAGLACYP2C9BACE1
SCHEMBL6587747 0.69 BACE1 (0.43) KMT2ALMNAGLACYP2C9BACE1
SCHEMBL6588437 0.69 BACE1 (0.50) KMT2ALMNAGLACYP2C9BACE1
SCHEMBL6600448 0.68 BACE1 (0.49) KMT2ALMNAGLACYP2C9BACE1

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
WO-2004058727-A1 SUBSTITUTED 3,5-DIHYDRO-4H-IMIDAZOL-4-ONES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 WO disclosed