SCHEMBL9505993

SCHEMBL9505993

O=C(O)Oc1cc(=O)n(-c2cc(Cl)ccc2Cl)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALKBH5 Q6P6C2 1/20 0.40
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NOTUM Q6P988 2/20 0.38
HTT P42858 2/20 0.36
MME P08473 1/20 0.36
TP53 P04637 1/20 0.36
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MYC P01106 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CTSA P10619 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MITF O75030 1/20 0.32

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
SCHEMBL10703075 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EALKBH5MAPTSMN1; SMN2
SCHEMBL9505315 0.81 ALKBH5 (0.61) ALDH1A1KDM4EALKBH5MAPTSMN1; SMN2
SCHEMBL9507906 0.79 ALKBH5 (0.44) ALDH1A1KDM4EALKBH5MAPTSMN1; SMN2
SCHEMBL11469612 0.79 ALKBH5 (0.46) ALDH1A1KDM4EALKBH5MAPTSMN1; SMN2
SCHEMBL9505990 0.78 ALKBH5 (0.66) ALDH1A1KDM4EALKBH5MAPTSMN1; SMN2
SCHEMBL6053229 0.76 KDM4E (0.30) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL11465738 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EALKBH5MAPTSMN1; SMN2
SCHEMBL11212536 0.73 MAPT (0.36) ALDH1A1KDM4EALKBH5MAPTSMN1; SMN2
SCHEMBL7070074 0.73 ALDH1A1 (0.69) ALDH1A1KDM4EALKBH5MAPTSMN1; SMN2
SCHEMBL10387219 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EALKBH5MAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297397-B1 PREPARATION OF DIAZO AND AZO COMPOUNDS BAYER AG (DE) 1993-08-04 EP disclosed
EP-0297397-A2 Preparation of diazo and azo compounds BAYER AG (DE) 1989-01-04 EP disclosed
EP-0093306-B1 METHODS FOR THE PREPARATION OF AZO COMPOUNDS, AND AZO COMPOUNDS BAYER AG (DE) 1986-09-24 EP disclosed
EP-0093306-A1 Methods for the preparation of azo compounds, and azo compounds BAYER AG (DE) 1983-11-09 EP disclosed