SCHEMBL5016002

SCHEMBL5016002

CCN(CC)CCC[N+](C(=O)c1ccccc1)(c1ccccc1)c1nc(-c2cc(OC)ccc2OC)cs1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
MAPK1 P28482 1/20 0.57
ATM Q13315 1/20 0.57
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
KMT2A Q03164 9/20 0.47
MEN1 O00255 7/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RAD52 P43351 2/20 0.43
ALDH1A1 P00352 2/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL5015719 0.82 KMT2A (0.53) TSHRMAPK1ATMMAPTSMN1; SMN2
SCHEMBL2829137 0.79 TSHR (0.77) TSHRMAPK1ATMMAPTSMN1; SMN2
SCHEMBL2826329 0.71 TSHR (0.72) TSHRMAPK1ATMMAPTSMN1; SMN2
SCHEMBL2833510 0.71 KMT2A (0.77) TSHRMAPK1ATMMAPTSMN1; SMN2
SCHEMBL2828585 0.71 TSHR (0.76) TSHRMAPK1ATMMAPTSMN1; SMN2
SCHEMBL2830954 0.70 TSHR (0.63) TSHRMAPK1ATMMAPTSMN1; SMN2
SCHEMBL2829988 0.69 TSHR (0.81) TSHRMAPK1ATMMAPTSMN1; SMN2
SCHEMBL2827744 0.66 TSHR (0.57) TSHRMAPK1ATMMAPTSMN1; SMN2
SCHEMBL2826671 0.66 TSHR (0.57) TSHRMAPK1ATMMAPTSMN1; SMN2
SCHEMBL2826515 0.66 TSHR (0.57) TSHRMAPK1ATMMAPTSMN1; 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
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