SCHEMBL30402872

SCHEMBL30402872

c1csc(Nc2ncnc3nc[nH]c23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.61
▸ LMNA P02545 3/20 0.61
▸ RAB9A P51151 7/20 0.57
▸ HTT P42858 6/20 0.57
▸ NPC1 O15118 6/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MKNK1 Q9BUB5 2/20 0.54
▸ HSD17B10 Q99714 4/20 0.52
▸ TSHR P16473 3/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ GFER P55789 1/20 0.52
▸ TOP2A P11388 2/20 0.49
▸ BRAF P15056 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ ROCK1 Q13464 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ MAPT P10636 2/20 0.47

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
SCHEMBL10645663 0.76 SMN1; SMN2 (1.00) SMN1; SMN2LMNARAB9AHTTNPC1
SCHEMBL1060507 0.75 MKNK1 (0.72) SMN1; SMN2LMNARAB9AHTTNPC1
SCHEMBL17009424 0.75 MKNK1 (0.51) SMN1; SMN2LMNARAB9AHTTNPC1
SCHEMBL11591794 0.73 HTT (0.59) SMN1; SMN2LMNARAB9AHTTNPC1
SCHEMBL4930236 0.72 HTT (0.59) SMN1; SMN2LMNARAB9AHTTNPC1
SCHEMBL4937207 0.72 HSD17B10 (0.57) SMN1; SMN2LMNARAB9AHTTNPC1
SCHEMBL4917835 0.72 MKNK1 (0.62) SMN1; SMN2LMNARAB9AHTTNPC1
SCHEMBL1029868 0.71 SMN1; SMN2 (0.51) SMN1; SMN2LMNARAB9AHTTNPC1
SCHEMBL4924073 0.71 HSD17B10 (0.56) SMN1; SMN2LMNARAB9AHTTNPC1
SCHEMBL9801799 0.71 SMN1; SMN2 (0.61) SMN1; SMN2LMNARAB9AHTTNPC1

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
CN-116076620-A Application of polyphenol lettuce in animal feed 浙江迦美善植物科技有限公司 2023-05-09 — — CN claimed
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