SCHEMBL28023291

SCHEMBL28023291

CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.61
MAPT P10636 5/20 0.58
LMNA P02545 7/20 0.53
HTT P42858 5/20 0.53
NPSR1 Q6W5P4 2/20 0.53
NAMPT P43490 1/20 0.53
ALDH1A1 P00352 5/20 0.53
ALOX15 P16050 3/20 0.53
MAPK1 P28482 3/20 0.53
GAA P10253 2/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
USP2 O75604 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
HCRTR1 O43613 1/20 0.50
ALPL P05186 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL23597414 0.88 PKM (0.61) PKMMAPTLMNAHTTALDH1A1
SCHEMBL2702167 0.86 PKM (0.82) PKMMAPTLMNAHTTNPSR1
SCHEMBL12964577 0.84 ALDH1A1 (0.63) PKMMAPTLMNAHTTALDH1A1
SCHEMBL2704796 0.84 LMNA (0.66) PKMMAPTLMNAHTTNPSR1
SCHEMBL12964649 0.83 PKM (0.68) PKMMAPTLMNAHTTNPSR1
SCHEMBL2702669 0.79 ALPL (0.61) PKMMAPTLMNAHTTNPSR1
SCHEMBL28023297 0.79 LMNA (0.66) PKMMAPTLMNAHTTNAMPT
SCHEMBL28023890 0.79 LMNA (0.81) PKMMAPTLMNAHTTNAMPT
SCHEMBL2701108 0.78 PKM (0.70) PKMMAPTLMNAHTTNPSR1
SCHEMBL28023893 0.78 NAMPT (0.61) PKMMAPTLMNAHTTNAMPT

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