SCHEMBL28570751

SCHEMBL28570751

NS(=O)(=O)c1ccc(OCC2CN(C(=O)O)CCO2)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 7/20 0.40
DRD4 P21917 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
PDK1 Q15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1700868 0.87 EPHA2 (0.47) LMNAMAPTPOLBALDH1A1DRD4
SCHEMBL29262728 0.87 EPHA2 (0.47) LMNAMAPTPOLBALDH1A1DRD4
SCHEMBL1870183 0.85 KMT2A (0.44) LMNADRD4CA1CA2PDK1
SCHEMBL1700726 0.83 HRH3 (0.46) LMNAMAPTPOLBALDH1A1DRD4
SCHEMBL1957014 0.81 MAPT (0.54) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL1957016 0.81 MAPT (0.54) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL27910638 0.81 MAPT (0.54) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL27893534 0.81 MAPT (0.54) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL30467955 0.79 LMNA (0.45) LMNAMAPTPOLBALDH1A1CA12
SCHEMBL1700104 0.79 LMNA (0.45) LMNAMAPTPOLBALDH1A1CA12

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-112661751-A Heterocyclic compounds as BCL-2 inhibitors 南京天印健华医药科技有限公司 2021-04-16 CN disclosed