SCHEMBL5014320

SCHEMBL5014320

Cc1ccccc1N(C)C1CCN(CCCN(C(=O)c2cccs2)c2nc(-c3cc4ccccc4o3)cs2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
TSHR P16473 7/20 0.40
OPRM1 P35372 4/20 0.40
LMNA P02545 3/20 0.40
OPRD1 P41143 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 4/20 0.38
CCR5 P51681 1/20 0.38
NPSR1 Q6W5P4 4/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 3/20 0.37
USP2 O75604 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 5/20 0.36
OPRK1 P41145 1/20 0.35
CACNA2D1 P54289 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 1/20 0.34

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
SCHEMBL2826628 0.91 SMN1; SMN2 (0.49) SMN1; SMN2TSHROPRM1LMNAOPRD1
SCHEMBL2826896 0.89 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1LMNAOPRD1
SCHEMBL2825388 0.88 SMN1; SMN2 (0.46) SMN1; SMN2TSHROPRM1LMNAOPRD1
SCHEMBL2833439 0.86 SMN1; SMN2 (0.44) SMN1; SMN2TSHROPRM1LMNAOPRD1
SCHEMBL2831518 0.86 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1LMNAOPRD1
SCHEMBL14237302 0.86 SMN1; SMN2 (0.45) SMN1; SMN2TSHROPRM1LMNAOPRD1
SCHEMBL2829014 0.85 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1LMNAOPRD1
SCHEMBL2828577 0.84 SMN1; SMN2 (0.48) SMN1; SMN2TSHROPRM1LMNAOPRD1
SCHEMBL2828606 0.83 SMN1; SMN2 (0.45) SMN1; SMN2TSHROPRM1LMNAOPRD1
SCHEMBL2830500 0.83 SMN1; SMN2 (0.52) SMN1; SMN2TSHROPRM1LMNAOPRD1

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