SCHEMBL6877987

SCHEMBL6877987

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
ALDH1A1 P00352 2/20 0.55
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ESR2 Q92731 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL8350499 0.88 GAA (0.77) GAAALDH1A1POLBSMN1; SMN2TP53
SCHEMBL8353465 0.87 GAA (0.54) GAAALDH1A1POLBSMN1; SMN2TP53
SCHEMBL8358181 0.85 GAA (0.66) GAAALDH1A1POLBSMN1; SMN2TP53
SCHEMBL4968797 0.84 SMN1; SMN2 (0.65) GAAALDH1A1POLBSMN1; SMN2TP53
SCHEMBL8350301 0.84 ALDH1A1 (0.54) GAAALDH1A1POLBRAB9ANPC1
SCHEMBL8353712 0.83 MAPK1 (0.69) GAAALDH1A1POLBSMN1; SMN2TP53
SCHEMBL6878797 0.80 ALDH1A1 (0.62) GAAALDH1A1POLBSMN1; SMN2TP53
Acetic Acid SCHEMBL8356398 0.78 KMT2A (0.50) GAAALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL7419507 0.78 SMN1; SMN2 (0.56) GAAALDH1A1POLBSMN1; SMN2TP53
SCHEMBL15709932 0.77 ALDH1A1 (0.54) GAAALDH1A1POLBSMN1; SMN2TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011058582-A1 HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-05-19 WO disclosed
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed