SCHEMBL2655064

SCHEMBL2655064

O=C(O)C1(c2ccc(S(=O)(=O)Cc3cccnc3)cc2C2CCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 15/20 0.41
▸ JAK1 P23458 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL2653153 0.86 ALDH1A1 (0.54) NAMPTALDH1A1LMNATSHRHTT
SCHEMBL2653085 0.85 NAMPT (0.39) NAMPTJAK1ALDH1A1LMNATSHR
SCHEMBL2653267 0.76 CA2 (0.38) —
SCHEMBL2652919 0.76 CNR2 (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL2652827 0.75 PTGS2 (0.42) ALDH1A1LMNA
SCHEMBL2653280 0.74 PTGS2 (0.44) ALDH1A1LMNA
SCHEMBL2652798 0.71 ALDH1A1 (0.42) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1581938 0.70 NAMPT (0.42) NAMPTJAK1LMNATSHRHTT
SCHEMBL2653863 0.70 RAB9A (0.48) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL2653840 0.69 STAT3 (0.37) ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113358792-A HPLC content analysis method of medicinal substance 北京亚宝生物药业有限公司 2021-09-07 — — CN claimed
CN-113267584-A HPLC related substance analysis method for medicinal substance 北京亚宝生物药业有限公司 2021-08-17 — — CN claimed
CN-113358792-A HPLC content analysis method of medicinal substance 北京亚宝生物药业有限公司 2021-09-07 — — CN disclosed
CN-113267584-A HPLC related substance analysis method for medicinal substance 北京亚宝生物药业有限公司 2021-08-17 — — CN disclosed
EP-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 — — EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 — — WO disclosed
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