SCHEMBL22306234

SCHEMBL22306234

CC(C)(C)n1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(N)c3)cs2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 12/20 0.52
▸ HDAC1 Q13547 10/20 0.52
▸ HDAC2 Q92769 10/20 0.52
▸ HDAC10 Q969S8 10/20 0.52
▸ HDAC6 Q9UBN7 6/20 0.52
▸ HDAC8 Q9BY41 5/20 0.52
▸ HDAC4 P56524 2/20 0.52
▸ HDAC7 Q8WUI4 2/20 0.52
▸ HDAC11 Q96DB2 2/20 0.52
▸ HDAC9 Q9UKV0 2/20 0.52
▸ HDAC5 Q9UQL6 2/20 0.52
▸ NCOR2 Q9Y618 3/20 0.49
▸ ROCK1 Q13464 2/20 0.46
▸ ROCK2 O75116 1/20 0.43
▸ ABL1 P00519 2/20 0.41
▸ SMARCA2 P51531 1/20 0.41
▸ SMARCA4 P51532 1/20 0.41
▸ PIK3C2A O00443 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL22305493 0.90 MAPT (0.47) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL22290384 0.90 KMT2A (0.48) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL22305489 0.89 MAPT (0.52) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL22306605 0.89 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL22305521 0.89 ELOVL1 (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL22290665 0.89 PARP1 (0.45) HDAC4ROCK1ROCK2SMARCA2SMARCA4
SCHEMBL22290616 0.88 SMARCA2 (0.54) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL31173366 0.88 ALDH1A1 (0.56) ROCK1MAPT
SCHEMBL22290277 0.88 ALDH1A1 (0.56) ROCK1MAPT
SCHEMBL22290553 0.87 CSNK2A2 (0.46) ROCK1ROCK2ABL1

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-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 — — WO disclosed
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