SCHEMBL28047003

SCHEMBL28047003

CCOC(=O)c1sc(C)nc1Oc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTPN11 Q06124 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.42
KCNMA1 Q12791 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
USP10 Q14694 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
BRAF P15056 1/20 0.40
PTPN1 P18031 1/20 0.40
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL28047041 0.84 MAPT (0.52) MAPTNPSR1LMNAKDM4EMEN1
SCHEMBL28047081 0.82 MAPT (0.47) MAPTNPSR1LMNAKDM4EMEN1
SCHEMBL9795426 0.78 USP10 (0.44) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL15933999 0.73 GPBAR1 (0.54)
SCHEMBL267821 0.72 MAPT (0.65) MAPTTDP1NPSR1LMNAMEN1
SCHEMBL9371773 0.71 MAPT (0.47) MAPTTDP1NPSR1LMNAKDM4E
SCHEMBL3455065 0.70 TRPM8 (0.52) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL17977274 0.70 MAPT (0.48) MAPTNPSR1LMNAKDM4EMEN1
SCHEMBL28047023 0.69 RHEB (0.42) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL316689 0.69 MAPT (0.57) MAPTTDP1NPSR1LMNAMEN1

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-105164112-A Amide compound and preparation method, pharmaceutical composition and application thereof SHANGHAI INST MATERIA MEDICA 2015-12-16 CN disclosed