Sugi Predict

Sugi Predict / Compounds / SCHEMBL2011797

SCHEMBL2011797

SCHEMBL2011797

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ POLB P06746 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ PKM P14618 1/20 0.49
▸ F2 P00734 2/20 0.48
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RAB9A P51151 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
SCHEMBL12629088 1.00 KMT2A (0.56) KMT2APOLBALDH1A1PKMF2
SCHEMBL12629083 0.94 ALDH1A1 (0.52) KMT2APOLBALDH1A1PKMCNR1
SCHEMBL2014843 0.94 ALDH1A1 (0.52) KMT2APOLBALDH1A1PKMCNR1
SCHEMBL12628159 0.90 ALDH1A1 (0.54) KMT2AALDH1A1PKMMEN1RAB9A
SCHEMBL2011504 0.90 ALDH1A1 (0.54) KMT2AALDH1A1PKMMEN1RAB9A
SCHEMBL2017637 0.89 ALDH1A1 (0.66) KMT2APOLBALDH1A1PKMCNR1
SCHEMBL12629084 0.89 ALDH1A1 (0.66) KMT2APOLBALDH1A1PKMCNR1
SCHEMBL12629080 0.89 ALDH1A1 (0.60) KMT2APOLBALDH1A1CNR1CNR2
SCHEMBL2011582 0.89 ALDH1A1 (0.60) KMT2APOLBALDH1A1CNR1CNR2
SCHEMBL12628169 0.88 PKM (0.49) KMT2APOLBALDH1A1PKMMEN1

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