SCHEMBL28023893

SCHEMBL28023893

COc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.61
LMNA P02545 4/20 0.60
ALOX15 P16050 3/20 0.60
USP2 O75604 2/20 0.60
PKM P14618 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HTT P42858 3/20 0.57
MAPK1 P28482 2/20 0.57
MAPT P10636 4/20 0.56
PKLR P30613 3/20 0.55
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
UBE2N P61088 1/20 0.50

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
SCHEMBL2702415 0.88 TSHR (0.63) LMNAALOX15USP2PKMPKLR
SCHEMBL28023293 0.86 LMNA (0.67) NAMPTLMNAALOX15USP2PKM
SCHEMBL2702712 0.86 PKM (0.74) PKMPKLR
SCHEMBL19040907 0.86 ALDH1A1 (0.64) LMNAUSP2PKMALDH1A1MAPK1
SCHEMBL28023890 0.85 LMNA (0.81) NAMPTLMNAALOX15USP2PKM
SCHEMBL2702504 0.84 PKM (0.77) NAMPTLMNAPKMALDH1A1HTT
SCHEMBL2703229 0.83 LMNA (0.80) NAMPTLMNAALOX15USP2PKM
SCHEMBL28023297 0.82 LMNA (0.66) NAMPTLMNAALOX15USP2PKM
SCHEMBL28023852 0.80 ALDH1A1 (0.82) NAMPTLMNAALOX15USP2PKM
SCHEMBL12975161 0.79 LMNA (0.68) LMNAALOX15USP2PKMALDH1A1

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