SCHEMBL9696285

SCHEMBL9696285

O=C(CC(=O)OC(=O)c1cccnc1)OC(=O)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
KMT2A Q03164 7/20 0.55
LMNA P02545 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
PLOD2 O00469 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
APP P05067 1/20 0.53
GAA P10253 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
THRB P10828 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52

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
SCHEMBL9696292 0.92 ALDH1A1 (0.60) ALDH1A1KMT2ALMNATDP1PLOD2
SCHEMBL514512 0.88 ALDH1A1 (0.59) ALDH1A1KMT2ALMNATDP1PLOD2
SCHEMBL4996696 0.88 ALDH1A1 (0.64) ALDH1A1KMT2ALMNATDP1L3MBTL1
SCHEMBL2491556 0.87 ALDH1A1 (0.71) ALDH1A1KMT2ALMNATDP1PLOD2
SCHEMBL30659698 0.87 ALDH1A1 (0.71) ALDH1A1KMT2ALMNATDP1PLOD2
SCHEMBL31648307 0.87 ALDH1A1 (0.71) ALDH1A1KMT2ALMNATDP1PLOD2
SCHEMBL4641800 0.86 ALDH1A1 (0.57) ALDH1A1KMT2ALMNATDP1PLOD2
SCHEMBL8159847 0.86 ALDH1A1 (0.57) ALDH1A1KMT2ALMNATDP1PLOD2
Hydrochloric Acid SCHEMBL27579225 0.86 ALDH1A1 (0.62) ALDH1A1KMT2ALMNATDP1L3MBTL1
SCHEMBL27566012 0.86 ALDH1A1 (0.57) ALDH1A1KMT2ALMNATDP1PLOD2

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-5149822-A PREPARATION OF 2,3-DICHLORO-5-ACETYLPYRIDINE BAYER AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed