SCHEMBL28302839

SCHEMBL28302839

NCc1ccccc1NC(=O)[C@@H](N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GLS O94925 4/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ CDC42 P60953 1/20 0.43
▸ PKN2 Q16513 1/20 0.43
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ KCNQ2 O43526 2/20 0.41
▸ BAZ1A Q9NRL2 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ F9 P00740 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ PLAU P00749 1/20 0.41

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
SCHEMBL28302841 1.00 L3MBTL1 (0.48) L3MBTL1GLSMEN1GAAKMT2A
SCHEMBL27905665 0.79 HTT (0.51) L3MBTL1MEN1GAAKMT2AALDH1A1
SCHEMBL8532166 0.79 CCR3 (0.56) L3MBTL1ALDH1A1POLBTAS1R3TAS1R1
SCHEMBL3635005 0.78 ALDH1A1 (0.47) L3MBTL1GAAALDH1A1POLBMAPT
SCHEMBL28609335 0.78 RAB9A (0.55) GAAALDH1A1POLBMAPT
SCHEMBL6718773 0.78 RAB9A (0.55) GAAALDH1A1POLBMAPT
SCHEMBL6719505 0.78 KCNQ2 (0.61) L3MBTL1MEN1GAAKMT2AROCK2
SCHEMBL6718687 0.78 RAB9A (0.55) GAAALDH1A1POLBMAPT
SCHEMBL27553239 0.78 L3MBTL1 (0.54) L3MBTL1MEN1GAAKMT2ANOS3
SCHEMBL28613983 0.77 TTK (0.53) MEN1GAAKMT2AALDH1A1POLB

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-110041285-A The preparation method of 2,4,5- of one kind, tri- substituted oxazoline class compound 大连理工大学 2019-07-23 — — CN disclosed
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