SCHEMBL2013126

SCHEMBL2013126

Cc1cnc(CNC(=O)C2CCC(c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 6/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 4/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL12628949 1.00 KMT2A (0.48) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL2016260 0.87 KMT2A (0.52) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL12628168 0.87 KMT2A (0.52) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL2010453 0.86 KMT2A (0.66) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL12628518 0.86 KMT2A (0.66) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL2011504 0.83 ALDH1A1 (0.54) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL12628159 0.83 ALDH1A1 (0.54) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL2012256 0.82 KMT2A (0.46) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL12628954 0.82 KMT2A (0.46) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL12628955 0.82 KMT2A (0.47) KMT2AMEN1GAAALDH1A1RAB9A

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