SCHEMBL5015719

SCHEMBL5015719

COc1ccc(OC)c(-c2csc([N+](CCCN(C)C)(C(=O)c3ccccc3F)c3ccccc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.53
MEN1 O00255 9/20 0.53
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL5016002 0.82 TSHR (0.57) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2827239 0.79 KMT2A (0.75) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2830954 0.71 TSHR (0.63) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2833510 0.71 KMT2A (0.77) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2831448 0.70 TSHR (0.80) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2830082 0.67 TSHR (0.74) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL1333818 0.64 L3MBTL1 (0.58) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2829137 0.64 TSHR (0.77) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL5046651 0.63 KMT2A (0.80) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL2826329 0.63 TSHR (0.72) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1

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
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 US claimed