SCHEMBL2653863

SCHEMBL2653863

O=C(O)C1(c2ccc(S(=O)(=O)NCCc3ccccn3)cc2C2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.48
▸ PKM P14618 1/20 0.45
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.38

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
SCHEMBL28612752 0.85 RAB9A (0.43) RAB9APKMPRMT5WDR77MAPT
SCHEMBL4617692 0.78 KDM4E (0.47) RAB9APKMMAPTKDM4ESMN1; SMN2
SCHEMBL2653153 0.77 ALDH1A1 (0.54) PKMMAPTHTTMEN1KMT2A
SCHEMBL4617042 0.73 KDM4E (0.48) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL4616855 0.73 RAB9A (0.67) RAB9APKMMAPTKDM4EHTT
SCHEMBL1581947 0.72 RAB9A (0.52) RAB9APKMMAPTKDM4EHTT
SCHEMBL4617115 0.72 RAB9A (0.45) RAB9APKMPRMT5WDR77MAPT
SCHEMBL2652827 0.72 PTGS2 (0.42) MEN1KMT2ALMNAALDH1A1
SCHEMBL2653280 0.71 PTGS2 (0.44) MEN1KMT2ALMNAALDH1A1
SCHEMBL2652919 0.71 CNR2 (0.36) RAB9AKMT2ASMN1; SMN2POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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