Sugi Predict

Sugi Predict / Compounds / SCHEMBL2012792

SCHEMBL2012792

SCHEMBL2012792

O=C(NCc1ccncc1)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 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
SCHEMBL12628514 1.00 ALDH1A1 (0.55) ALDH1A1HTTKMT2ARAB9AMAPT
SCHEMBL12628159 0.92 ALDH1A1 (0.54) ALDH1A1KMT2ARAB9AMAPTMEN1
SCHEMBL2011504 0.92 ALDH1A1 (0.54) ALDH1A1KMT2ARAB9AMAPTMEN1
SCHEMBL12628516 0.89 TSHR (0.60) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL2014766 0.89 TSHR (0.60) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL12628517 0.89 ALDH1A1 (0.67) ALDH1A1HTTKMT2AMEN1TSHR
SCHEMBL2016227 0.89 ALDH1A1 (0.67) ALDH1A1HTTKMT2AMEN1TSHR
SCHEMBL12628161 0.89 ALDH1A1 (0.48) ALDH1A1KMT2ARAB9AMEN1GAA
SCHEMBL12628167 0.88 ALDH1A1 (0.50) ALDH1A1KMT2ARAB9AMEN1
SCHEMBL2017811 0.88 ALDH1A1 (0.50) ALDH1A1KMT2ARAB9AMEN1

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