SCHEMBL22306345

SCHEMBL22306345

CNc1cccc(-c2csc(NC(=O)CNC(=O)c3ccn(C)c3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ MAPT P10636 7/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HDAC3 O15379 8/20 0.44
▸ HDAC1 Q13547 7/20 0.44
▸ HDAC2 Q92769 7/20 0.44
▸ HDAC10 Q969S8 7/20 0.44
▸ HDAC8 Q9BY41 6/20 0.44
▸ HDAC6 Q9UBN7 5/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ NCOR2 Q9Y618 1/20 0.43
▸ SMARCA2 P51531 1/20 0.43

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
SCHEMBL22305368 0.89 MAPT (0.49) ROCK2ROCK1MAPTNPC1RAB9A
SCHEMBL22306605 0.89 HDAC3 (0.46) ROCK2ROCK1MAPTNPC1RAB9A
SCHEMBL22305951 0.88 MAPT (0.55) MAPTNPC1RAB9AHDAC3HDAC1
SCHEMBL31173242 0.87 PARP1 (0.47) ROCK2ROCK1MAPTHDAC4SMARCA2
SCHEMBL22290647 0.87 PARP1 (0.47) ROCK2ROCK1MAPTHDAC4SMARCA2
SCHEMBL22305714 0.87 WNT3A (0.45) ROCK1MAPTSMARCA2SMARCA4ABL1
SCHEMBL22306596 0.86 ALDH1A1 (0.58) ROCK1MAPTNPC1RAB9AALDH1A1
SCHEMBL22306588 0.86 SMARCA2 (0.45) MAPTHDAC3HDAC1HDAC2HDAC10
SCHEMBL22305355 0.86 SMARCA2 (0.46) MAPTNPC1RAB9AHDAC3HDAC1
SCHEMBL22306586 0.85 SMARCA2 (0.43) ROCK1HDAC3HDAC1HDAC2HDAC10

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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