Sugi Predict

Sugi Predict / Compounds / SCHEMBL7448295

SCHEMBL7448295

SCHEMBL7448295

Fc1ccc2c(c1Cl)SCC(=S)N2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ CHRM1 P11229 2/20 0.36
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ PGR P06401 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL7454821 0.80 MAOA (0.42) ALDH1A1PGRGAA
SCHEMBL7449747 0.70 ALDH1A1 (0.59) ALDH1A1CHRM1
SCHEMBL10367117 0.69 MEN1 (0.38) ALDH1A1HTR2AHTR2CHTR2BMEN1
SCHEMBL7450795 0.68 ALDH1A1 (0.47) ALDH1A1CHRM1PGRMEN1GAA
SCHEMBL7450910 0.68 KDM4E (0.32) ALDH1A1
SCHEMBL7450917 0.68 KDM4E (0.32) ALDH1A1
SCHEMBL12066877 0.66 ALDH1A1 (0.35) ALDH1A1MEN1GAAKMT2A
SCHEMBL9867062 0.66 PGR (0.30) PGR
SCHEMBL10433910 0.66 PGR (0.30) PGR
SCHEMBL7451860 0.66 ALDH1A1 (0.58) ALDH1A1CHRM1MEN1GAAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 — — WO disclosed
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 — — WO disclosed