SCHEMBL11470557

SCHEMBL11470557

COc1c(C)cc2c(sc3ncc(C(=O)O)c(=O)n32)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ GAA P10253 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 5/20 0.35
▸ HSD17B10 Q99714 5/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL11352768 0.83 GABRP (0.33) KDM4EALDH1A1GAAPKMGABRP
SCHEMBL11357161 0.81 ALDH1A1 (0.32) TP53KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL11738548 0.71 TP53 (0.54) TP53KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL11735261 0.69 KDM4E (0.48) TP53KDM4ESMN1; SMN2CHEK1LIMK1
SCHEMBL11734087 0.68 KDM4E (0.54) TP53KDM4ESMN1; SMN2CHEK1LIMK1
SCHEMBL11733455 0.64 KDM4E (0.43) TP53KDM4ESMN1; SMN2CHEK1LIMK1
SCHEMBL11471959 0.64 KDM4E (0.60) TP53KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL7089136 0.64 HSD17B10 (0.46) KDM4EALDH1A1GAAPKMMAPT
SCHEMBL4303369 0.63 HSD17B10 (0.44) KDM4EALDH1A1GAAPKMMAPT
SCHEMBL11389207 0.62 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1GAAPKM

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-4232024-A ANTIALLERGENS BOEHRINGER MANNHEIM GMBH (DE) 1980-11-04 — — US disclosed
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