SCHEMBL28023293

SCHEMBL28023293

COc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
ALOX15 P16050 3/20 0.67
USP2 O75604 2/20 0.67
ALDH1A1 P00352 6/20 0.66
PKM P14618 5/20 0.66
HTT P42858 4/20 0.66
MAPK1 P28482 3/20 0.66
MAPT P10636 4/20 0.64
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NAMPT P43490 1/20 0.59
HTR7 P34969 2/20 0.58
HTR1A P08908 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
DRD3 P35462 1/20 0.58
HTR6 P50406 1/20 0.58
PLAU P00749 2/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57

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
SCHEMBL28023890 0.90 LMNA (0.81) LMNAALOX15USP2ALDH1A1PKM
SCHEMBL2703229 0.89 LMNA (0.80) LMNAALOX15USP2ALDH1A1PKM
SCHEMBL28023297 0.87 LMNA (0.66) LMNAALOX15USP2ALDH1A1PKM
SCHEMBL28023893 0.86 NAMPT (0.61) LMNAALOX15USP2ALDH1A1PKM
SCHEMBL2704273 0.85 PKM (0.78) LMNAALOX15USP2ALDH1A1PKM
SCHEMBL11875 0.82 LMNA (0.80) LMNAALOX15USP2ALDH1A1PKM
SCHEMBL2702712 0.81 PKM (0.74) PKM
SCHEMBL28023852 0.81 ALDH1A1 (0.82) LMNAALOX15USP2ALDH1A1PKM
SCHEMBL17947677 0.80 ALDH1A1 (1.00) LMNAALOX15USP2ALDH1A1PKM
SCHEMBL16206625 0.78 LMNA (0.68) LMNAALOX15USP2ALDH1A1PKM

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-104817498-A Therapeutic compounds and compositions AGIOS PHARMACEUTICALS INC 2015-08-05 CN disclosed