SCHEMBL9613862

SCHEMBL9613862

CCCCCCCCCCCCCCCCCCN(C)CC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.41
CTSK P43235 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
TK1 P04183 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
LMNA P02545 2/20 0.39
EBP Q15125 1/20 0.39
GGPS1 O95749 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL5415655 0.83 TK1 (0.36) CTSKHDAC6TK1MEN1KMT2A
SCHEMBL25245658 0.82 TK1 (0.48) CTSKTK1
SCHEMBL25077082 0.82 TK1 (0.48) CTSKTK1
SCHEMBL25077325 0.82 TK1 (0.48) CTSKTK1
SCHEMBL25077399 0.82 TK1 (0.48) CTSKTK1
SCHEMBL25293956 0.82 TK1 (0.48) CTSKTK1
SCHEMBL25286339 0.82 TK1 (0.48) CTSKTK1
SCHEMBL25077450 0.82 TK1 (0.48) CTSKTK1
SCHEMBL25077369 0.82 TK1 (0.48) CTSKTK1
SCHEMBL25077460 0.82 TK1 (0.48) CTSKTK1

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
US-5116992-A Antitumor SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1992-05-26 US disclosed