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SCHEMBL2010908

SCHEMBL2010908

CCOC(=O)C1CCN(C(=O)C2CCC(c3cccc(F)c3)N(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ CYP2C19 P33261 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ TSHR P16473 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12631358 1.00 KMT2A (0.52) KMT2AMEN1CYP2C19ALDH1A1HTT
SCHEMBL2010049 0.91 KMT2A (0.60) KMT2AMEN1CYP2C19ALDH1A1HTT
SCHEMBL12631602 0.91 KMT2A (0.60) KMT2AMEN1CYP2C19ALDH1A1HTT
SCHEMBL2033590 0.91 KMT2A (0.55) KMT2AMEN1CYP2C19ALDH1A1HTT
SCHEMBL12631366 0.82 ALDH1A1 (0.57) KMT2AMEN1CYP2C19ALDH1A1TSHR
SCHEMBL2033680 0.82 ALDH1A1 (0.57) KMT2AMEN1CYP2C19ALDH1A1TSHR
SCHEMBL12629091 0.81 CYP2C19 (0.61) KMT2AMEN1CYP2C19ALDH1A1TSHR
SCHEMBL2048329 0.81 CYP2C19 (0.61) KMT2AMEN1CYP2C19ALDH1A1TSHR
SCHEMBL12631678 0.79 ALDH1A1 (0.46) KMT2AMEN1CYP2C19ALDH1A1HTT
SCHEMBL12632371 0.79 ALDH1A1 (0.46) KMT2AMEN1CYP2C19ALDH1A1TSHR

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