SCHEMBL12632587

SCHEMBL12632587

O=C(Oc1ccccc1)N1CCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.44
NPY2R P49146 2/20 0.44
NPC1 O15118 2/20 0.43
FAAH O00519 2/20 0.43
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL2030221 1.00 ALDH1A1 (0.48) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL2031324 0.88 ALDH1A1 (0.49) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL12632585 0.88 ALDH1A1 (0.49) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL2036513 0.87 ALDH1A1 (0.55) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL12631366 0.87 ALDH1A1 (0.57) ALDH1A1RAB9AKMT2ALMNAGAA
SCHEMBL2033680 0.87 ALDH1A1 (0.57) ALDH1A1RAB9AKMT2ALMNAGAA
SCHEMBL12631614 0.86 ALDH1A1 (0.46) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL12632586 0.84 APP (0.46) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL2035987 0.84 APP (0.46) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL12632588 0.84 ALDH1A1 (0.51) ALDH1A1RAB9AKMT2ALMNASMN1; 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 disclosed