SCHEMBL2013444

SCHEMBL2013444

O=C(Nc1ccc(F)cc1F)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.45
HTT P42858 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 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
SCHEMBL12628165 1.00 SMN1; SMN2 (0.53) SMN1; SMN2POLBLMNATP53KMT2A
SCHEMBL12628166 0.85 ALDH1A1 (0.51) SMN1; SMN2LMNATP53KMT2AALDH1A1
SCHEMBL2012495 0.85 ALDH1A1 (0.51) SMN1; SMN2LMNATP53KMT2AALDH1A1
SCHEMBL12628296 0.83 DPP4 (0.48) SMN1; SMN2LMNATP53KMT2AALDH1A1
SCHEMBL2015023 0.83 DPP4 (0.48) SMN1; SMN2LMNATP53KMT2AALDH1A1
SCHEMBL2010268 0.82 TSHR (0.48) SMN1; SMN2POLBLMNATP53KMT2A
SCHEMBL12628945 0.82 TSHR (0.48) SMN1; SMN2POLBLMNATP53KMT2A
SCHEMBL2013828 0.81 ALDH1A1 (0.57) SMN1; SMN2LMNATP53KMT2AALDH1A1
SCHEMBL12629075 0.81 ALDH1A1 (0.57) SMN1; SMN2LMNATP53KMT2AALDH1A1
SCHEMBL12628520 0.81 ALDH1A1 (0.51) SMN1; SMN2LMNAKMT2AALDH1A1RAB9A

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