SCHEMBL28656457

SCHEMBL28656457

CC(CN1Cc2ccccc2C1)OC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ CARM1 Q86X55 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ DPP8 Q6V1X1 2/20 0.42
▸ DPP9 Q86TI2 2/20 0.42
▸ DPP7 Q9UHL4 2/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL28656456 1.00 POLB (0.48) POLBCARM1USP2SMN1; SMN2NPC1
SCHEMBL28654413 0.90 CARM1 (0.51) POLBCARM1
SCHEMBL28654411 0.90 CARM1 (0.51) POLBCARM1
SCHEMBL28928596 0.79 DRD2 (0.44) POLBCARM1USP2SMN1; SMN2NPC1
SCHEMBL28668671 0.78 SLC18A3 (0.45) POLBNPC1NPSR1
SCHEMBL28668669 0.78 SLC18A3 (0.45) POLBNPC1NPSR1
SCHEMBL28654086 0.73 DPP8 (0.57) DPP8DPP9DPP7DPP4
SCHEMBL28654088 0.73 DPP8 (0.57) DPP8DPP9DPP7DPP4
SCHEMBL18212435 0.72 CARM1 (0.51) CARM1DPP8DPP9DPP7DPP4
SCHEMBL29563547 0.72 CARM1 (0.61) CARM1KDM4ELMNA

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-107735088-B Histone deacetylase inhibitors, compositions and methods of use thereof CHDI基金会股份有限公司 2021-11-02 — — CN disclosed
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