SCHEMBL13513857

SCHEMBL13513857

CBc1ccc(C(=O)OC)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ DYRK1A Q13627 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ GABRP O00591 2/20 0.41
▸ GABRD O14764 2/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRB1 P18505 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ GABRA3 P34903 2/20 0.41
▸ GABRA2 P47869 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ GABRA4 P48169 2/20 0.41
▸ GABRE P78334 2/20 0.41
▸ GABRA6 Q16445 2/20 0.41
▸ GABRG1 Q8N1C3 2/20 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
SCHEMBL12460896 0.81 ALDH1A1 (0.44) MAPK1KDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL989398 0.78 MAPK1 (0.79) MAPK1KDM4EL3MBTL1LCKALDH1A1
SCHEMBL29565067 0.77 MAPK1 (0.67) MAPK1KDM4EL3MBTL1DYRK1ALCK
SCHEMBL82621 0.77 MAPK1 (0.67) MAPK1KDM4EL3MBTL1DYRK1ALCK
SCHEMBL29508473 0.77 MAPK1 (1.00) MAPK1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL31463324 0.77 MAPK1 (0.67) MAPK1KDM4EL3MBTL1DYRK1ALCK
SCHEMBL164488 0.77 MAPK1 (0.67) MAPK1KDM4EL3MBTL1DYRK1ALCK
SCHEMBL69747 0.77 MAPK1 (1.00) MAPK1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL31463327 0.77 MAPK1 (0.67) MAPK1KDM4EL3MBTL1DYRK1ALCK
SCHEMBL2669419 0.76 PIK3CD (0.47) MAPK1KDM4EL3MBTL1DYRK1AHPGD

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-2010007943-A1 NITROGENATED HETEROCYCLIC COMPOUND 旭化成ファーマ株式会社 (JP) 2010-01-21 — — WO disclosed
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