SCHEMBL5745323

SCHEMBL5745323

COC1CC(C(=O)Nc2ccc(N3C(=O)NC(CC(=O)O)C3=O)cc2)N(C(=O)N(Cl)c2ccccn2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.41
▸ GAA P10253 3/20 0.34
▸ GRM1 Q13255 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ITGB3 P05106 2/20 0.31
▸ ITGAV P06756 2/20 0.31
▸ ITGA2B P08514 2/20 0.31
▸ POLB P06746 3/20 0.31
▸ TAS2R8 Q9NYW2 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
SCHEMBL5745320 1.00 F10 (0.41) F10GAAGRM1ALDH1A1MEN1
SCHEMBL3828764 0.80 F10 (0.54) F10GAAALDH1A1MEN1KMT2A
SCHEMBL3828762 0.80 F10 (0.54) F10GAAALDH1A1MEN1KMT2A
SCHEMBL3828759 0.80 F10 (0.54) F10GAAALDH1A1MEN1KMT2A
SCHEMBL3832599 0.78 F10 (0.58) F10POLB
SCHEMBL3832607 0.78 F10 (0.58) F10POLB
SCHEMBL3832612 0.78 F10 (0.58) F10POLB
SCHEMBL3834379 0.71 F10 (0.67) F10
SCHEMBL9055178 0.64 GAA (0.75) GAAALDH1A1KMT2AMAPTLMNA
SCHEMBL3835698 0.63 F10 (0.61) F10MEN1KMT2AMAPTSMN1; SMN2

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
EP-1671949-A2 Substituted phenylamines and pyridinylamines WARNER-LAMBERT COMPANY LLC (US) 2006-06-21 — — EP disclosed
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