SCHEMBL4537410

SCHEMBL4537410

Cc1noc(C)c1S(=O)(=O)Nc1cccc(COc2c(Br)cccc2Br)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 6/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NR3C2 P08235 1/20 0.48
TSHR P16473 1/20 0.45
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.42
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5117966 0.87 THRA (0.59) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL11887834 0.70 MAPT (0.77) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL6038476 0.69 CCR4 (0.50) ALDH1A1MAPTLMNASMN1; SMN2NR3C2
Acetic Acid SCHEMBL27492277 0.68 ALDH1A1 (0.73) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL6831724 0.68 ALDH1A1 (0.68) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL5866256 0.68 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL5866258 0.68 ALDH1A1 (0.52) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL5866263 0.68 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL328329 0.67 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5866324 0.67 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ALMNASMN1; SMN2

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-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed