SCHEMBL31751986

SCHEMBL31751986

NC(=O)c1cccc(C2C=Cc3ccccc32)c1NC(=O)C1=CCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
HDAC2 Q92769 7/20 0.35
HDAC1 Q13547 6/20 0.35
HDAC3 O15379 5/20 0.35
HDAC4 P56524 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
TP53 P04637 1/20 0.30

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
SCHEMBL31753507 0.76 JAK3 (0.38) BTK
SCHEMBL31753091 0.74 TNIK (0.32)
SCHEMBL31753158 0.74 KDM4E (0.42) SIRT1
SCHEMBL31751997 0.72 PDCD1 (0.51) BTKHDAC2HDAC1HDAC3HDAC4
SCHEMBL29354764 0.65 KDM4E (0.40) SIRT2SIRT1SIRT3
SCHEMBL25439186 0.62 KDM4E (0.35) BTK
SCHEMBL6692379 0.59 HDAC2 (0.58) HDAC2HDAC1HDAC3HDAC4HDAC8
SCHEMBL4762075 0.58 ALDH1A1 (0.39) TP53
SCHEMBL405604 0.58
SCHEMBL13739258 0.58 HDAC2 (0.64) BTKHDAC2HDAC1HDAC3HDAC4

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-2025081045-A9 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-12-26 WO disclosed