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Sugi Predict / Compounds / SCHEMBL2013288

SCHEMBL2013288

SCHEMBL2013288

O=C(NCc1cccc(F)c1)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL12628169 1.00 PKM (0.49) PKMKMT2AALDH1A1MEN1LMNA
SCHEMBL12628946 0.95 ALDH1A1 (0.51) PKMKMT2AALDH1A1MEN1LMNA
SCHEMBL2015115 0.95 ALDH1A1 (0.51) PKMKMT2AALDH1A1MEN1LMNA
SCHEMBL2015738 0.94 ALDH1A1 (0.48) PKMKMT2AALDH1A1MEN1LMNA
SCHEMBL12628947 0.94 ALDH1A1 (0.48) PKMKMT2AALDH1A1MEN1LMNA
SCHEMBL12628159 0.90 ALDH1A1 (0.54) PKMKMT2AALDH1A1MEN1MAPT
SCHEMBL2011504 0.90 ALDH1A1 (0.54) PKMKMT2AALDH1A1MEN1MAPT
SCHEMBL2010853 0.89 KMT2A (0.58) KMT2AALDH1A1MEN1TSHRMAPT
SCHEMBL12628292 0.89 KMT2A (0.55) PKMKMT2AALDH1A1MEN1TSHR
SCHEMBL12628174 0.89 KMT2A (0.58) KMT2AALDH1A1MEN1TSHRMAPT

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