SCHEMBL27520649

SCHEMBL27520649

CCOc1cc(C(=O)C=O)ccn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PROKR1 Q8TCW9 1/20 0.44
▸ MAPT P10636 1/20 0.41
▸ CYP1A1 P04798 4/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ CYP2D6 P10635 4/20 0.41
▸ CYP1B1 Q16678 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ACACB O00763 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL27554882 0.86 LMNA (0.42) CYP1A2CYP2D6KMT2AACACBL3MBTL1
SCHEMBL30723841 0.81 MAPT (0.57) PROKR1MAPTKMT2ANPSR1KDM4E
SCHEMBL1992514 0.81 MAPT (0.57) PROKR1MAPTKMT2ANPSR1KDM4E
SCHEMBL14480077 0.81 CREBBP (0.50) PROKR1MAPTKMT2ANPSR1ACACB
SCHEMBL7437293 0.80 PROKR1 (0.48) PROKR1MAPTCYP1A1CYP1A2CYP2D6
SCHEMBL30281260 0.80 PARP10 (0.51) PROKR1MAPTKMT2ANPSR1ACACB
SCHEMBL6241029 0.80 PARP10 (0.51) PROKR1MAPTKMT2ANPSR1ACACB
SCHEMBL17478456 0.80 MAPT (0.56) PROKR1MAPTKMT2ANPSR1KDM4E
SCHEMBL3723629 0.79 JMJD6 (0.56) CYP1A2
SCHEMBL29173821 0.79 KDM4E (0.55) PROKR1MAPTACACBKDM4EALOX15

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-1201789-A Pyridine-3,4-diketone derivatives and their preparation and medicinal uses UNIV ZHONGSHAN (CN) 1998-12-16 — — CN claimed
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