SCHEMBL13494643

SCHEMBL13494643

Cc1nccc2c3ccc(O)cc3n(Cc3ccc(C(=O)O)cc3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 18/20 0.57
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ APOBEC3A P31941 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PLA2G2A P14555 1/20 0.43

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
SCHEMBL12070353 0.87 DYRK1A (0.73) DYRK1APLA2G2AHTR2AHTR2C
SCHEMBL13494641 0.86 DYRK1A (0.66) DYRK1AHTR2AHTR2C
SCHEMBL27921175 0.78 DYRK1A (0.67) DYRK1AHTR2AHTR2C
SCHEMBL27939720 0.75 DYRK1A (0.50) DYRK1AHTR2AHTR2C
SCHEMBL27899833 0.74 DYRK1A (0.55) DYRK1A
SCHEMBL8852076 0.74 DYRK1A (0.70) DYRK1A
SCHEMBL30939988 0.73 DYRK1A (0.71) DYRK1AHTR2AHTR2C
SCHEMBL16123659 0.73 DYRK1A (0.71) DYRK1AHTR2AHTR2C
SCHEMBL12070349 0.73 DYRK1A (1.00) DYRK1AHTR2AHTR2C
SCHEMBL12288128 0.72 HASPIN (0.74) DYRK1A

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-2010015636-A1 BETA-CARBOLIN-DERIVATES AS SUBSTRATES FOR AN ENZYME JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2010-02-11 — — WO disclosed
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