SCHEMBL8358181

SCHEMBL8358181

CCCOC(=O)Cc1csc(NC(=O)CBr)n1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
MAPK1 P28482 2/20 0.59
TSHR P16473 1/20 0.59
POLB P06746 2/20 0.58
LMNA P02545 1/20 0.57
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
ESR2 Q92731 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL8353712 0.93 MAPK1 (0.69) GAAMAPK1TSHRPOLBLMNA
SCHEMBL8350499 0.90 GAA (0.77) GAAMAPK1TSHRPOLBLMNA
SCHEMBL6877987 0.85 GAA (0.59) GAAMAPK1POLBLMNAKMT2A
SCHEMBL8353465 0.81 GAA (0.54) GAAMAPK1POLBLMNAKMT2A
SCHEMBL9232215 0.80 GAA (1.00) GAAMAPK1TSHRPOLBLMNA
SCHEMBL8350301 0.78 ALDH1A1 (0.54) GAAPOLBKMT2AALDH1A1MEN1
SCHEMBL6520420 0.77 GAA (0.77) GAAMAPK1TSHRPOLBLMNA
SCHEMBL7503570 0.77 GAA (0.77) GAAMAPK1TSHRPOLBLMNA
SCHEMBL7930533 0.77 GAA (0.77) GAAMAPK1TSHRPOLBLMNA
Acetic Acid SCHEMBL8356398 0.76 KMT2A (0.50) GAAPOLBKMT2ASMN1; SMN2ALDH1A1

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
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed