SCHEMBL8188963

SCHEMBL8188963

COc1cc(Br)c2c(c1)C(=O)CCN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RAF1 P04049 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.41
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38

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
SCHEMBL9035419 0.83 ACHE (0.46) ACHEMEN1KMT2AL3MBTL1RAF1
SCHEMBL7666411 0.82 MAPK1 (0.42) ACHEMEN1KMT2AL3MBTL1RAF1
SCHEMBL5399245 0.80 MEN1 (0.50) MEN1KMT2AL3MBTL1RAF1MAPK1
SCHEMBL8221443 0.79 MEN1 (0.44) ACHEMEN1KMT2AL3MBTL1RAF1
SCHEMBL9036456 0.78 ACHE (0.42) ACHEMEN1KMT2AL3MBTL1MAPK1
SCHEMBL3722673 0.77 MEN1 (0.47) MEN1KMT2AL3MBTL1RAF1MAPK1
SCHEMBL2278697 0.77 MEN1 (0.70) MEN1KMT2AL3MBTL1RAF1MAPK1
SCHEMBL7218785 0.76 ACHE (0.48) ACHEHTR2AHTR2CHTR2BALDH1A1
Hydrochloric Acid SCHEMBL4866638 0.75 ACHE (0.47) ACHEHTR2AHTR2CHTR2BALDH1A1
SCHEMBL29948190 0.74 ALDH1A1 (0.49) MEN1KMT2ARAF1MAPK1MAP2K1

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
WO-2000021949-A1 QUINOLONES AS T-RNA SYNTHETASE INHIBITORS AND ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 — — WO disclosed
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