SCHEMBL27857096

SCHEMBL27857096

CCc1nc2cccc(S)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.53
▸ TNKS2 Q9H2K2 1/20 0.47
▸ ADORA1 P30542 5/20 0.41
▸ ADORA3 P0DMS8 5/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ GAA P10253 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.35

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
Bromide SCHEMBL28178865 0.98 DDAH1 (0.51) DDAH1TNKS2ADORA1ADORA3ADORA2A
SCHEMBL27857023 0.83 PARP1 (0.52) —
SCHEMBL27873817 0.81 PARP1 (0.47) —
SCHEMBL2900206 0.80 DDAH1 (0.55) DDAH1TNKS2ADORA1ADORA3ADORA2A
SCHEMBL4919557 0.80 DDAH1 (0.55) DDAH1TNKS2ADORA1ADORA3ADORA2A
SCHEMBL12263999 0.79 DDAH1 (0.53) DDAH1TNKS2ADORA1ADORA3ADORA2A
SCHEMBL1918625 0.79 DDAH1 (0.53) DDAH1TNKS2ADORA1ADORA3ADORA2A
Iodide SCHEMBL2892306 0.79 DDAH1 (0.53) DDAH1TNKS2ADORA1ADORA3ADORA2A
Iodide SCHEMBL2900267 0.79 DDAH1 (0.53) DDAH1TNKS2ADORA1ADORA3ADORA2A
SCHEMBL21263296 0.78 DDAH1 (0.49) DDAH1TNKS2ADORA1ADORA3ADORA2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102491344-B Silica nano-particle and preparation method and use thereof UNIV KUNMING SCIENCE & TECHNOLOGY 2014-04-02 — — CN claimed
CN-102491344-A Silica nano-particle and its preparation method and use UNIV KUNMING SCIENCE & TECHNOLOGY 2012-06-13 — — CN claimed
CN-107205944-A For correcting weak and/or chronic fatigue syndrome symptom or treating weak and/or chronic fatigue syndrome pharmaceutical composition 瓦伦塔有限责任公司 2017-09-26 — — CN disclosed
CN-102491344-B Silica nano-particle and preparation method and use thereof UNIV KUNMING SCIENCE & TECHNOLOGY 2014-04-02 — — CN disclosed
CN-102491344-A Silica nano-particle and its preparation method and use UNIV KUNMING SCIENCE & TECHNOLOGY 2012-06-13 — — CN disclosed
Send feedback