SCHEMBL24892467

SCHEMBL24892467

CNOC(=O)c1ccc(CN2CCN(C)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.64
HDAC6 Q9UBN7 3/20 0.63
HRH3 Q9Y5N1 2/20 0.53
HDAC1 Q13547 4/20 0.51
HDAC4 P56524 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
BTK Q06187 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MC4R P32245 1/20 0.49
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL4367804 0.87 CHKA (0.82) CHKAHDAC6HRH3HDAC1HDAC4
SCHEMBL64588 0.87 CHKA (0.82) CHKAHDAC6HRH3HDAC1HDAC4
SCHEMBL25509878 0.82 CHKA (0.64) CHKAHDAC6HRH3HDAC1HDAC4
SCHEMBL347958 0.81 CHKA (0.62) CHKAHDAC6HRH3LMNAKDM4E
SCHEMBL10154345 0.81 HDAC6 (0.78) CHKAHDAC6HRH3HDAC1HDAC4
SCHEMBL7058977 0.80 HDAC6 (0.68) CHKAHDAC6HRH3HDAC1HDAC4
SCHEMBL6650843 0.80 CHKA (0.61) CHKAHDAC6HRH3HDAC1HDAC4
SCHEMBL25142596 0.80 CHKA (0.61) CHKAHDAC6HRH3HDAC1HDAC4
SCHEMBL28061494 0.80 HDAC6 (0.71) CHKAHDAC6HRH3HDAC1HDAC4
SCHEMBL1979654 0.79 CHKA (0.60) CHKAHDAC6HRH3BTKALDH1A1

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-2023287793-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-01-19 WO disclosed