SCHEMBL24717007

SCHEMBL24717007

CC(C)(C)C1COCC(=O)N1c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.43
HDAC8 Q9BY41 10/20 0.43
HDAC6 Q9UBN7 10/20 0.43
HDAC5 Q9UQL6 6/20 0.43
BPTF Q12830 1/20 0.36
TSHR P16473 1/20 0.36
POLQ O75417 1/20 0.35
RAD51 Q06609 1/20 0.34
NOTUM Q6P988 1/20 0.33
PRKCZ Q05513 1/20 0.33
QPCT Q16769 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL24717022 0.82 HDAC1 (0.41) HDAC1HDAC8HDAC6HDAC5BPTF
SCHEMBL24717003 0.79 HDAC1 (0.40) HDAC1HDAC8HDAC6HDAC5BPTF
SCHEMBL24717012 0.73 BPTF (0.34) HDAC1HDAC8HDAC6HDAC5BPTF
SCHEMBL9892990 0.65 ABL1 (0.44) HDAC1HDAC8HDAC6HDAC5BPTF
SCHEMBL15133232 0.65
SCHEMBL22854290 0.63 ALDH1A1 (0.39) HDAC1HDAC8HDAC6HDAC5NOTUM
SCHEMBL24415608 0.63 SLC6A2 (0.41) BPTFTSHR
SCHEMBL20672079 0.62
SCHEMBL9891772 0.62 BPTF (0.39) HDAC1HDAC8HDAC6HDAC5BPTF
SCHEMBL9891746 0.62 CNR2 (0.45) TSHR

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
WO-2022257894-A1 P300 INHIBITOR AND PHARMACEUTICAL USE THEREOF 贝达药业股份有限公司 2022-12-15 WO disclosed