SCHEMBL28889259

SCHEMBL28889259

NC(=S)NC(=O)C(c1cccc(F)c1)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
AURKA O14965 3/20 0.37
ADRB2 P07550 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
NR3C2 P08235 1/20 0.36
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RY1 P47900 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PNMT P11086 1/20 0.34
MTOR P42345 1/20 0.34
TACR1 P25103 1/20 0.34
CBLB Q13191 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL29941818 0.88 HDAC4 (0.41) HDAC4HDAC7HDAC5AURKAADRB2
SCHEMBL28889212 0.87 HDAC4 (0.40) HDAC4HDAC7HDAC5AURKAADRB2
SCHEMBL28889342 0.86 OPRM1 (0.40) HDAC4HDAC7HDAC5ADRB2OPRM1
SCHEMBL28889214 0.86 HDAC4 (0.39) HDAC4HDAC7HDAC5AURKAADRB2
SCHEMBL28889170 0.85 HDAC4 (0.43) HDAC4HDAC7HDAC5AURKAADRB2
SCHEMBL29893770 0.85 HDAC4 (0.43) HDAC4HDAC7HDAC5AURKAADRB2
SCHEMBL28889250 0.85 MEN1 (0.44) HDAC4HDAC7HDAC5AURKAADRB2
SCHEMBL29893755 0.85 MEN1 (0.44) HDAC4HDAC7HDAC5AURKAADRB2
SCHEMBL28889290 0.85 LMNA (0.40) HDAC4HDAC7HDAC5OPRL1KMT2A
SCHEMBL29942056 0.82 ALDH1A1 (0.43) HDAC4HDAC7HDAC5ADRB2OPRM1

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-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 CN disclosed