Sugi Predict

Sugi Predict / Compounds / SCHEMBL2014843

SCHEMBL2014843

SCHEMBL2014843

O=C(NCc1ccccc1)C1CCC(c2ccccc2)N(S(=O)(=O)c2cccc(Cl)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ KMT2A Q03164 3/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SLC13A5 Q86YT5 2/20 0.47
▸ PKM P14618 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
SCHEMBL12629083 1.00 ALDH1A1 (0.52) ALDH1A1KMT2ACNR1CNR2POLB
SCHEMBL2011797 0.94 KMT2A (0.56) ALDH1A1KMT2ACNR1CNR2POLB
SCHEMBL12629088 0.94 KMT2A (0.56) ALDH1A1KMT2ACNR1CNR2POLB
SCHEMBL12628159 0.90 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1PKM
SCHEMBL2011504 0.90 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1PKM
SCHEMBL2015115 0.89 ALDH1A1 (0.51) ALDH1A1KMT2APOLBMEN1PKM
SCHEMBL12628946 0.89 ALDH1A1 (0.51) ALDH1A1KMT2APOLBMEN1PKM
SCHEMBL2011582 0.89 ALDH1A1 (0.60) ALDH1A1KMT2ACNR1CNR2POLB
SCHEMBL12629084 0.89 ALDH1A1 (0.66) ALDH1A1KMT2ACNR1CNR2POLB
SCHEMBL2017637 0.89 ALDH1A1 (0.66) ALDH1A1KMT2ACNR1CNR2POLB

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