SCHEMBL11445790

SCHEMBL11445790

CCOC(=O)CC(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)CC(=O)OCC)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ RECQL P46063 2/20 0.51
▸ MAPT P10636 5/20 0.49
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HTT P42858 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL11435301 0.90 ALDH1A1 (0.54) TSHRL3MBTL1ALDH1A1RECQLMAPT
SCHEMBL3706025 0.86 L3MBTL1 (0.69) L3MBTL1ALDH1A1RECQLMAPTKMT2A
SCHEMBL2028324 0.86 L3MBTL1 (0.51) L3MBTL1ALDH1A1RECQLMAPTKMT2A
SCHEMBL11446316 0.86 L3MBTL1 (0.51) L3MBTL1ALDH1A1RECQLMAPTKMT2A
SCHEMBL11446112 0.84 ALDH1A1 (0.53) TSHRALDH1A1RECQLMAPTKMT2A
SCHEMBL31648055 0.84 ALDH1A1 (0.53) TSHRALDH1A1RECQLMAPTKMT2A
SCHEMBL9705713 0.81 RECQL (0.55) L3MBTL1ALDH1A1RECQLMAPTKMT2A
SCHEMBL10631099 0.80 KMT2A (0.66) TSHRL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL9704241 0.79 MAPT (0.57) L3MBTL1ALDH1A1RECQLMAPTKMT2A
SCHEMBL30623198 0.79 PKM (0.67) L3MBTL1ALDH1A1RECQLMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30199-E Oxidation hair dyes based upon tetraaminopyrimidine developers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1980-01-29 — — US disclosed
EP-0006711-A1 Heterocyclic derivatives of (4-phenylpiperazin-1-yl-aryloxymethyl-1,3-dioxolan-2-yl)-methyl-1H-imidazoles and 1H-1,2,4-triazoles, processes for preparing them and compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 — — EP disclosed
US-4003699-A Oxidation hair dyes based upon tetraaminopyrimidine developers HENKEL & CIE G.M.B.H. (DT) 1977-01-18 — — US disclosed
US-3933886-A HAIR DYE HENKEL & CIE GMBH (DT) 1976-01-20 — — US disclosed
Send feedback