SCHEMBL20124849

SCHEMBL20124849

CC(C)(O)C(=O)Nc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PKM P14618 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CYP2C19 P33261 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PDK1 Q15118 6/20 0.46
PDK2 Q15119 6/20 0.46
PDK3 Q15120 6/20 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
SCHEMBL1913557 0.86 L3MBTL1 (0.79) MAPTRAB9AL3MBTL1PKMMEN1
SCHEMBL4281969 0.84 MAPT (0.57) MAPTRAB9AL3MBTL1PKMMEN1
SCHEMBL18086475 0.82 L3MBTL1 (0.59) MAPTRAB9AL3MBTL1MEN1POLB
SCHEMBL23963277 0.80 L3MBTL1 (0.48) RAB9AL3MBTL1CA12CA1CA2
Hydrochloric Acid SCHEMBL10583823 0.79 MAPT (0.52) MAPTRAB9AL3MBTL1PKMMEN1
Hydrochloric Acid SCHEMBL9691299 0.79 MAPT (0.52) MAPTRAB9AL3MBTL1PKMMEN1
SCHEMBL7956933 0.79 MAPT (0.52) MAPTRAB9AL3MBTL1PKMMEN1
SCHEMBL16256509 0.79 MEN1 (0.53) MAPTRAB9AL3MBTL1PKMMEN1
SCHEMBL3129785 0.79 PDK1 (0.67) MAPTL3MBTL1MEN1LMNAKMT2A
SCHEMBL27893900 0.78 L3MBTL1 (0.55) MAPTRAB9AL3MBTL1MEN1LMNA

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
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed