SCHEMBL2010453

SCHEMBL2010453

O=C(NCc1ccccn1)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
GAA P10253 2/20 0.66
MEN1 O00255 1/20 0.66
PKM P14618 3/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GLA P06280 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
TSHR P16473 2/20 0.53
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.49
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL12628518 1.00 KMT2A (0.66) KMT2AGAAMEN1PKMLMNA
SCHEMBL12628168 0.89 KMT2A (0.52) KMT2AGAAMEN1PKMLMNA
SCHEMBL2016260 0.89 KMT2A (0.52) KMT2AGAAMEN1PKMLMNA
SCHEMBL12628949 0.86 KMT2A (0.48) KMT2AGAAMEN1PKMLMNA
SCHEMBL2013126 0.86 KMT2A (0.48) KMT2AGAAMEN1PKMLMNA
SCHEMBL12628948 0.85 KMT2A (0.48) KMT2AGAAMEN1PKMLMNA
SCHEMBL2016640 0.85 KMT2A (0.48) KMT2AGAAMEN1PKMLMNA
SCHEMBL12628159 0.85 ALDH1A1 (0.54) KMT2AGAAMEN1PKMALDH1A1
SCHEMBL2011504 0.85 ALDH1A1 (0.54) KMT2AGAAMEN1PKMALDH1A1
SCHEMBL12628514 0.84 ALDH1A1 (0.55) KMT2AGAAMEN1ALDH1A1HTT

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