SCHEMBL28049663

SCHEMBL28049663

COc1ccc(C(=O)C2CCN(C(=O)O)CC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.60
TNKS O95271 5/20 0.54
TNKS2 Q9H2K2 5/20 0.54
PARP1 P09874 4/20 0.54
POLB P06746 1/20 0.51
NNMT P40261 1/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
GPR183 P32249 2/20 0.46
HSD11B1 P28845 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGLL Q99685 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL18228223 0.90 SLC18A3 (0.60) SLC18A3TNKSTNKS2PARP1POLB
SCHEMBL9980757 0.84 GPR119 (0.62) SLC18A3TNKSTNKS2PARP1KMT2A
SCHEMBL28134988 0.81 SLC18A3 (0.60) SLC18A3TNKSTNKS2PARP1POLB
SCHEMBL28853734 0.81 SLC18A3 (0.57) SLC18A3TNKSTNKS2PARP1POLB
SCHEMBL28226807 0.81 SLC18A3 (0.57) SLC18A3TNKSTNKS2PARP1POLB
SCHEMBL16446856 0.80 POLB (0.53) SLC18A3TNKSTNKS2PARP1POLB
SCHEMBL9980865 0.80 SLC18A3 (0.55) SLC18A3TNKSTNKS2PARP1NNMT
SCHEMBL28853735 0.79 SLC18A3 (0.55) SLC18A3TNKSTNKS2PARP1POLB
SCHEMBL4962237 0.79 POLB (0.78) SLC18A3POLBALDH1A1LMNAHSD11B1
Hydrochloric Acid SCHEMBL16432204 0.78 MEN1 (0.56) SLC18A3TNKSTNKS2PARP1NNMT

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
CN-105392784-A Oxoquinazolinyl-butanamide derivatives MERCK PATENT GMBH 2016-03-09 CN disclosed