SCHEMBL28598403

SCHEMBL28598403

Cc1cc(C(F)(F)F)c(CNC(=O)c2ccc(C(F)(F)F)nc2)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 10/20 0.45
▸ EED O75530 4/20 0.45
▸ RBBP4 Q09028 4/20 0.45
▸ SUZ12 Q15022 4/20 0.45
▸ AEBP2 Q6ZN18 4/20 0.45
▸ NAMPT P43490 2/20 0.43
▸ EZH1 Q92800 1/20 0.42
▸ ITK Q08881 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ TRPV1 Q8NER1 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
SCHEMBL29473787 1.00 EZH2 (0.45) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL28613713 0.80 NAMPT (0.42) NAMPTITKPTGESTRPV1
SCHEMBL29473811 0.80 NAMPT (0.42) NAMPTITKPTGESTRPV1
SCHEMBL28918534 0.79 ITK (0.47) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL29473810 0.79 EZH2 (0.42) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL29473812 0.79 ITK (0.47) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL29473802 0.78 EZH2 (0.41) EZH2NAMPTEZH1
SCHEMBL28594985 0.78 ITK (0.45) NAMPTITKKDM4ETRPV1
SCHEMBL28600423 0.78 EZH2 (0.41) EZH2NAMPTEZH1
SCHEMBL29473794 0.78 ITK (0.45) NAMPTITKKDM4ETRPV1

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 2 patents. 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
CN-113045494-A 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 2021-06-29 — — CN disclosed
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