SCHEMBL12546065

SCHEMBL12546065

CNCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ POLB P06746 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ LPAR1 Q92633 1/20 0.38
▸ LPAR3 Q9UBY5 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ APP P05067 1/20 0.36
▸ CASP1 P29466 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL15631245 0.93 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL12574005 0.87 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL13411197 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL12432395 0.81 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL12381805 0.81 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL19317821 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL18054799 0.75 MEN1 (0.42) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL13038073 0.74 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL15871531 0.73 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL19566733 0.72 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1KDM4EHTT

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
US-20110136958-A1 MIXED ORGANIC AND INORGANIC POLYMERS UNIVERSITY OF MASSACHUSETTS LOWELL 2011-06-09 — — US disclosed
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