SCHEMBL6224554

SCHEMBL6224554

CN1CCN(S(=O)(=O)c2cccc(N)c2)CC1.CN1CCN(S(=O)(=O)c2cccc(N)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.67
PKLR P30613 1/20 0.67
POLB P06746 1/20 0.65
MAPK1 P28482 1/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
APOBEC3A P31941 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
TSHR P16473 2/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
GCK P35557 1/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL266849 1.00 PKM (0.67) PKMPKLRPOLBMAPK1LMNA
SCHEMBL2856804 0.94 APOBEC3A (0.67) PKMPKLRPOLBMAPK1LMNA
SCHEMBL10860773 0.92 PKM (0.77) PKMPKLRLMNAHTTTSHR
SCHEMBL396589 0.85 ALDH1A1 (0.69) PKMPKLRLMNAHTTTSHR
SCHEMBL264656 0.83 ALDH1A1 (0.67) PKMPKLRLMNAHTTTSHR
SCHEMBL14093748 0.83 PKM (0.62) PKMPKLRLMNATSHRKDM4E
SCHEMBL28871030 0.83 POLB (0.59) PKMPOLBMAPK1LMNAHTT
SCHEMBL13421456 0.83 POLB (0.58) POLBLMNAHTTAPOBEC3AAPOBEC3G
SCHEMBL14263406 0.82 POLB (0.67) PKMPOLBMAPK1LMNAHTT
SCHEMBL4384015 0.81 ALDH1A1 (0.68) PKMPKLRPOLBLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed