SCHEMBL12628166

SCHEMBL12628166

O=C(Nc1ccc(F)cc1)[C@@H]1CC[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 1/20 0.51
DPP4 P27487 1/20 0.51
FAAH O00519 1/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LIPE Q05469 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2012495 1.00 ALDH1A1 (0.51) ALDH1A1KMT2ARAB9ADPP4FAAH
SCHEMBL2015023 0.96 DPP4 (0.48) ALDH1A1KMT2ARAB9ADPP4FAAH
SCHEMBL12628296 0.96 DPP4 (0.48) ALDH1A1KMT2ARAB9ADPP4FAAH
SCHEMBL2013828 0.92 ALDH1A1 (0.57) ALDH1A1KMT2ARAB9AFAAHMEN1
SCHEMBL12629075 0.92 ALDH1A1 (0.57) ALDH1A1KMT2ARAB9AFAAHMEN1
SCHEMBL2010268 0.88 TSHR (0.48) ALDH1A1KMT2ARAB9AMEN1TP53
SCHEMBL12628945 0.88 TSHR (0.48) ALDH1A1KMT2ARAB9AMEN1TP53
SCHEMBL2013444 0.85 SMN1; SMN2 (0.53) ALDH1A1KMT2ARAB9AMEN1TP53
SCHEMBL12628165 0.85 SMN1; SMN2 (0.53) ALDH1A1KMT2ARAB9AMEN1TP53
SCHEMBL2010853 0.84 KMT2A (0.58) ALDH1A1KMT2ARAB9AMEN1TP53

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 disclosed