SCHEMBL12475356

SCHEMBL12475356

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 6/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.46
HPGD P15428 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
POLB P06746 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 3/20 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
SCHEMBL12475304 0.85 NPC1 (0.52) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL12475963 0.84 GAA (0.48) SMN1; SMN2MAPTALDH1A1GAAMEN1
SCHEMBL12475773 0.82 GAA (0.49) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL12477175 0.80 MAPT (0.50) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL12475549 0.78 GAA (0.43) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL12475436 0.78 GAA (0.52) SMN1; SMN2MAPTALDH1A1GAAMEN1
SCHEMBL12475734 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL12475648 0.76 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL12475343 0.76 RAB9A (0.65) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL12475719 0.76 RAB9A (0.50) SMN1; SMN2MAPTALDH1A1GAAMEN1

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