SCHEMBL2035987

SCHEMBL2035987

O=C(OCCCl)N1CCN(C(=O)C2CCC(c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 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
SCHEMBL12632586 1.00 APP (0.46) APPALDH1A1RAB9AKMT2AGAA
SCHEMBL2033680 0.89 ALDH1A1 (0.57) APPALDH1A1RAB9AKMT2AGAA
SCHEMBL12631366 0.89 ALDH1A1 (0.57) APPALDH1A1RAB9AKMT2AGAA
SCHEMBL12632373 0.86 APP (0.46) APPALDH1A1RAB9AKMT2APOLB
SCHEMBL12632585 0.85 ALDH1A1 (0.49) APPALDH1A1RAB9AKMT2AGAA
SCHEMBL2031324 0.85 ALDH1A1 (0.49) APPALDH1A1RAB9AKMT2AGAA
SCHEMBL12632587 0.84 ALDH1A1 (0.48) ALDH1A1RAB9AKMT2AGAAPOLB
SCHEMBL2030221 0.84 ALDH1A1 (0.48) ALDH1A1RAB9AKMT2AGAAPOLB
SCHEMBL2036513 0.83 ALDH1A1 (0.55) ALDH1A1RAB9AKMT2APOLBLMNA
SCHEMBL12631614 0.82 ALDH1A1 (0.46) 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 claimed