SCHEMBL9217841

SCHEMBL9217841

C[C@H](Nc1cscn1)C(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
NPR3 P17342 1/20 0.31
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL6616473 0.80 SCN9A (0.35) FPR2SCN9A
SCHEMBL6211278 0.80 SCN9A (0.35) FPR2SCN9A
Hydrochloric Acid SCHEMBL6498236 0.79 SCN9A (0.34) FPR2SCN9A
SCHEMBL3516836 0.74 ALDH1A1 (0.42) SCN9A
SCHEMBL175752 0.74 ALDH1A1 (0.42) SCN9A
SCHEMBL175753 0.74 ALDH1A1 (0.42) SCN9A
SCHEMBL7288378 0.72 PIK3CA (0.36) FPR2SCN9A
Hydrochloric Acid SCHEMBL7300448 0.72 ALDH1A1 (0.41) SCN9A
SCHEMBL165039 0.71 ATR (0.40) SCN9ACCNB2CCNE2CDK1CDK4
SCHEMBL9297590 0.71 GLS (0.46) SCN9A

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-5378689-A Hypotensive agents; administrable by mouth SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed