SCHEMBL29473810

SCHEMBL29473810

Cc1cc(C2CC2)[nH]c(=O)c1CNC(=O)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 10/20 0.42
▸ BTK Q06187 1/20 0.41
▸ EED O75530 4/20 0.40
▸ RBBP4 Q09028 4/20 0.40
▸ SUZ12 Q15022 4/20 0.40
▸ RBBP7 Q16576 2/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ AEBP2 Q6ZN18 2/20 0.40
▸ KLKB1 P03952 1/20 0.39
▸ RORC P51449 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
SCHEMBL28600937 1.00 EZH2 (0.42) EZH2BTKEEDRBBP4SUZ12
SCHEMBL28918534 0.81 ITK (0.47) EZH2EEDRBBP4SUZ12NAMPT
SCHEMBL29473812 0.81 ITK (0.47) EZH2EEDRBBP4SUZ12NAMPT
SCHEMBL29473787 0.79 EZH2 (0.45) EZH2EEDRBBP4SUZ12NAMPT
SCHEMBL28598403 0.79 EZH2 (0.45) EZH2EEDRBBP4SUZ12NAMPT
SCHEMBL29473802 0.78 EZH2 (0.41) EZH2NAMPT
SCHEMBL28600423 0.78 EZH2 (0.41) EZH2NAMPT
SCHEMBL29473800 0.77 EZH2 (0.42) EZH2NAMPT
SCHEMBL28602604 0.77 EZH2 (0.42) EZH2NAMPT
SCHEMBL28613713 0.76 NAMPT (0.42) BTKNAMPTRORC

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-113045494-B Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis 四川大学华西医院 2022-04-26 — — CN disclosed
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