SCHEMBL2010182

SCHEMBL2010182

CC(C)CC(=O)NC1CCN(C(=O)C2CCC(c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
MMP2 P08253 3/20 0.40
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
CCR4 P51679 1/20 0.39
KDM5A P29375 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
SCHEMBL12631689 1.00 KMT2A (0.42) KMT2AALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL12631691 0.87 ALDH1A1 (0.47) KMT2AALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL2013818 0.87 ALDH1A1 (0.47) KMT2AALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL12631617 0.86 ALDH1A1 (0.49) KMT2AALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL2010903 0.86 LMNA (0.44) KMT2AALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL12631379 0.86 LMNA (0.44) KMT2AALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL12631381 0.84 ALDH1A1 (0.44) KMT2AALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL2052998 0.84 ALDH1A1 (0.44) KMT2AALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL12631378 0.84 ALDH1A1 (0.44) KMT2AALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL12632371 0.84 ALDH1A1 (0.46) KMT2AALDH1A1RAB9ALMNASMN1; SMN2

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
WO-2011073277-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS Kv1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO claimed