SCHEMBL18257901

SCHEMBL18257901

O=C(O)c1cc(-c2ccc([SiH2]c3ccc(Cl)cc3)cc2)on1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDH1 P12830 1/20 0.70
▸ CTNNB1 P35222 1/20 0.70
▸ TCF7L2 Q9NQB0 1/20 0.70
▸ ALDH1A1 P00352 3/20 0.60
▸ PTPN1 P18031 2/20 0.59
▸ MAPT P10636 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ RAB9A P51151 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ THRB P10828 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL892967 0.91 CDH1 (0.82) CDH1CTNNB1TCF7L2ALDH1A1PTPN1
SCHEMBL20149361 0.82 CDH1 (1.00) CDH1CTNNB1TCF7L2ALDH1A1PTPN1
SCHEMBL892878 0.78 ALDH1A1 (0.72) CDH1CTNNB1TCF7L2ALDH1A1PTPN1
SCHEMBL16401825 0.78 CDH1 (0.63) CDH1CTNNB1TCF7L2ALDH1A1MAPT
SCHEMBL11275129 0.76 CDH1 (0.61) CDH1CTNNB1TCF7L2ALDH1A1MAPT
SCHEMBL72786 0.76 ALDH1A1 (1.00) CDH1CTNNB1TCF7L2ALDH1A1PTPN1
SCHEMBL71299 0.76 ALDH1A1 (1.00) CDH1CTNNB1TCF7L2ALDH1A1PTPN1
SCHEMBL11902059 0.75 CDH1 (0.59) CDH1CTNNB1TCF7L2ALDH1A1PTPN1
SCHEMBL1178695 0.74 ALDH1A1 (0.72) CDH1CTNNB1TCF7L2ALDH1A1PTPN1
SCHEMBL72428 0.74 ALDH1A1 (0.72) CDH1CTNNB1TCF7L2ALDH1A1PTPN1

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-2016187050-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5]OXADIAZOLO[3',4':5,6] PYRAZIONO[2,3-B]INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-11-24 — — WO disclosed
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