SCHEMBL27454530

SCHEMBL27454530

CCC(=O)Nc1c[c]c(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
GAA P10253 3/20 0.49
MAPT P10636 2/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
CYP3A4 P08684 2/20 0.47
RAB9A P51151 6/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 3/20 0.44
NR4A1 P22736 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL27544478 0.80 SMN1; SMN2 (0.50) CA12CA1CA2CA9MAPT
SCHEMBL10344607 0.79 CYP3A4 (0.56) CA12CA1CA2CA9GAA
SCHEMBL13989319 0.77 GAA (0.73) CA12CA1CA2CA9GAA
SCHEMBL9645084 0.76 POLB (0.51) CA12CA1CA2CA9GAA
SCHEMBL2643318 0.76 CA12 (0.62) CA12CA1CA2CA9GAA
SCHEMBL4629132 0.73 GAA (0.49) CA12CA1CA2CA9GAA
SCHEMBL27935843 0.72 MAP4K4 (0.44) CA12CA1CA9GAAALDH1A1
Hydrochloric Acid SCHEMBL8531055 0.71 CA12 (0.61) CA12CA1CA2CA9GAA
SCHEMBL11193707 0.70 CA12 (0.56) CA12CA1CA2CA9GAA
SCHEMBL359542 0.70 GAA (0.54) CA12CA1CA2CA9GAA

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-1131169-A Monoazo compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL CO (JP) 1996-09-18 CN disclosed