SCHEMBL12475773

SCHEMBL12475773

C#CCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 9/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
XDH P47989 1/20 0.41
LMNA P02545 2/20 0.40
CHRM4 P08173 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL12475304 0.87 NPC1 (0.52) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12475963 0.84 GAA (0.48) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12475356 0.82 SMN1; SMN2 (0.54) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12475436 0.80 GAA (0.52) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12475343 0.79 RAB9A (0.65) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12475549 0.78 GAA (0.43) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12475734 0.78 SMN1; SMN2 (0.51) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12475648 0.76 SMN1; SMN2 (0.50) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12475719 0.76 RAB9A (0.50) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12475500 0.76 SMN1; SMN2 (0.50) GAASMN1; SMN2MAPTMEN1KMT2A

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-2012109573-A1 SUBSTITUTED THIAZOLES FOR USE AS ANTIVIRAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2012-08-16 WO disclosed