SCHEMBL28668552

SCHEMBL28668552

CC(N)CN1CCc2cnccc2C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 12/20 0.45
WDR77 Q9BQA1 12/20 0.45
NAMPT P43490 2/20 0.40
HDAC4 P56524 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CARM1 Q86X55 1/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 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
SCHEMBL18212477 1.00 PRMT5 (0.45) PRMT5WDR77NAMPTHDAC4SIGMAR1
Hydrochloric Acid SCHEMBL18205144 0.99 PRMT5 (0.44) PRMT5WDR77NAMPTHDAC4SIGMAR1
Hydrochloric Acid SCHEMBL18205147 0.99 PRMT5 (0.44) PRMT5WDR77NAMPTHDAC4SIGMAR1
SCHEMBL18212476 0.88 NAMPT (0.49) PRMT5WDR77NAMPTHDAC4SIGMAR1
SCHEMBL18417276 0.82 NAMPT (0.49) PRMT5WDR77NAMPTHDAC4SIGMAR1
SCHEMBL17377256 0.80 PRMT5 (0.50) PRMT5WDR77CARM1
SCHEMBL17377259 0.80 PRMT5 (0.50) PRMT5WDR77CARM1
SCHEMBL805471 0.80 SIGMAR1 (0.46) PRMT5WDR77NAMPTSIGMAR1
SCHEMBL28655189 0.80 CARM1 (0.57) PRMT5WDR77CARM1
SCHEMBL18212446 0.80 CARM1 (0.57) PRMT5WDR77CARM1

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