SCHEMBL14149159

SCHEMBL14149159

CNS(=O)(=O)c1c(C)nn(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.47
NMT1 P30419 3/20 0.44
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
FPR2 P25090 2/20 0.38
PROKR1 Q8TCW9 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRM5 P08912 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL16508907 0.78 TSHR (0.48) TSHRMAPTNMT1LMNAHTT
SCHEMBL8232738 0.77 TSHR (0.45) TSHRMAPTNMT1SMN1; SMN2ALDH1A1
SCHEMBL1472720 0.77 TSHR (0.47) TSHRMAPTNMT1LMNAHTT
SCHEMBL3376273 0.75 TSHR (0.44) TSHRMAPTNMT1SMN1; SMN2ALDH1A1
SCHEMBL3069717 0.75 KDM4E (0.53) TSHRMAPTNMT1LMNASMN1; SMN2
SCHEMBL4895697 0.75 TSHR (0.44) TSHRMAPTNMT1SMN1; SMN2ALDH1A1
SCHEMBL347771 0.75 TSHR (0.44) TSHRMAPTNMT1LMNAALDH1A1
SCHEMBL14468543 0.73 ALDH1A1 (0.48) TSHRMAPTNMT1LMNAHTT
Hydrochloric Acid SCHEMBL14759214 0.73 KDM4E (0.51) TSHRMAPTNMT1LMNAALDH1A1
SCHEMBL13290812 0.72 ALDH1A1 (0.43) TSHRMAPTNMT1ALDH1A1NPSR1

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-8324174-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-12-04 US disclosed