SCHEMBL28919197

SCHEMBL28919197

COc1cc(-c2ccc(C(=O)NCc3c4c(c(C)[nH]c3=O)CCCC4)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ EZH2 Q15910 12/20 0.42
▸ EZH1 Q92800 3/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ GCGR P47871 1/20 0.40
▸ GIPR P48546 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ADCY8 P40145 1/20 0.38
▸ ADCY1 Q08828 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
SCHEMBL29473791 1.00 RXRA (0.46) RXRARXRBRXRGEZH2EZH1
SCHEMBL28601010 0.91 EZH2 (0.45) RXRAEZH2EZH1NPC1RAB9A
SCHEMBL29473806 0.88 EZH2 (0.43) EZH2EZH1NPC1RAB9A
SCHEMBL28595709 0.85 LSS (0.46) EZH2EZH1PARP1EPHX2
SCHEMBL28598243 0.83 CCR5 (0.50) EZH2PARP1EPHX2NPC1RAB9A
SCHEMBL28601006 0.83 EPHX2 (0.49) EZH2EZH1EPHX2
SCHEMBL28598409 0.82 MMP13 (0.45) EZH2EPHX2NPC1RAB9A
SCHEMBL28613717 0.82 SMN1; SMN2 (0.52) EZH2EZH1
SCHEMBL29473822 0.82 SMN1; SMN2 (0.52) EZH2EZH1
SCHEMBL28609837 0.80 EZH2 (0.48) EZH2EZH1

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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