SCHEMBL11076330

SCHEMBL11076330

O=C(O)CNC(=O)c1nc2cc(Cl)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KCNH2 Q12809 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
CETP P11597 2/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 4/20 0.44
KDM4E B2RXH2 4/20 0.44
CYP1A2 P05177 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SENP6 Q9GZR1 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL11065324 0.83 MAPT (0.46) XDHKMT2AMEN1GAATP53
SCHEMBL11065025 0.83 MAPT (0.43) XDHKMT2AMEN1KCNH2GAA
SCHEMBL3640007 0.79 MEN1 (0.56) XDHKMT2AMEN1KCNH2GAA
SCHEMBL29825622 0.79 MEN1 (0.56) XDHKMT2AMEN1KCNH2GAA
SCHEMBL27654631 0.79 MAPT (0.58) XDHKMT2AMEN1KCNH2GAA
SCHEMBL11077235 0.78 TP53 (0.46) XDHKMT2AMEN1LMNATP53
SCHEMBL11233556 0.76 MAPT (0.54) XDHKMT2AMEN1KCNH2GAA
SCHEMBL2701430 0.75 MAPT (0.57) XDHKMT2AMEN1KCNH2GAA
SCHEMBL5095572 0.74 MEN1 (0.51) XDHKMT2AMEN1KCNH2GAA
SCHEMBL10829024 0.74 MAPT (0.56) XDHKMT2AMEN1KCNH2GAA

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
US-4490373-A BENZOXAZOLE-2-CARBOXYLIC ACID AMIDES USV PHARMACEUTICAL CORPORATION (US) 1984-12-25 US claimed
EP-0127066-A2 Composition for treating asthma USV PHARMACEUTICAL CORPORATION (US) 1984-12-05 EP claimed
US-4490373-A BENZOXAZOLE-2-CARBOXYLIC ACID AMIDES USV PHARMACEUTICAL CORPORATION (US) 1984-12-25 US disclosed
EP-0127066-A2 Composition for treating asthma USV PHARMACEUTICAL CORPORATION (US) 1984-12-05 EP disclosed