SCHEMBL2016640

SCHEMBL2016640

O=C(NCc1nccs1)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL12628948 1.00 KMT2A (0.48) KMT2AGAAMEN1ALDH1A1RAB9A
SCHEMBL2010453 0.85 KMT2A (0.66) KMT2AGAAMEN1ALDH1A1RAB9A
SCHEMBL12628518 0.85 KMT2A (0.66) KMT2AGAAMEN1ALDH1A1RAB9A
SCHEMBL12628168 0.83 KMT2A (0.52) KMT2AGAAMEN1ALDH1A1RAB9A
SCHEMBL2016260 0.83 KMT2A (0.52) KMT2AGAAMEN1ALDH1A1RAB9A
SCHEMBL2011504 0.82 ALDH1A1 (0.54) KMT2AGAAMEN1ALDH1A1RAB9A
SCHEMBL12628159 0.82 ALDH1A1 (0.54) KMT2AGAAMEN1ALDH1A1RAB9A
SCHEMBL2012792 0.82 ALDH1A1 (0.55) KMT2AGAAMEN1ALDH1A1RAB9A
SCHEMBL12628514 0.82 ALDH1A1 (0.55) KMT2AGAAMEN1ALDH1A1RAB9A
SCHEMBL12628949 0.82 KMT2A (0.48) KMT2AGAAMEN1ALDH1A1RAB9A

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-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO claimed