SCHEMBL28049711

SCHEMBL28049711

O=C(O)C1=C(Nc2cccc(Cl)c2)CC(C(=O)O)=C(Nc2cccc(Cl)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ LMNA P02545 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ RAB9A P51151 6/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ AKR1C3 P42330 2/20 0.51
▸ AKR1C2 P52895 2/20 0.51
▸ EPHX2 P34913 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ GRIK1 P39086 1/20 0.48
▸ EPHX1 P07099 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4098338 0.86 TRPV1 (0.54) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL4098333 0.83 ALDH1A1 (0.53) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL1415624 0.81 CASP3 (0.45) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL1415827 0.80 AKR1C3 (0.45) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL28049710 0.75 ALDH1A1 (0.49) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL5458783 0.73 NPC1 (0.59) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL30832930 0.73 AKR1C3 (0.69) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL5592996 0.73 AKR1C3 (0.69) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL1884170 0.73 MEN1 (0.74) MEN1KMT2ALMNAALDH1A1MAPT
Acetic Acid SCHEMBL6243148 0.73 MAPT (0.61) MEN1KMT2ALMNAALDH1A1MAPT

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
CN-105189659-A Quinacridone pigment of low amine content and method for producing same DAINIPPON INK & CHEMICALS 2015-12-23 — — CN disclosed
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