SCHEMBL22305355

SCHEMBL22305355

Cn1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(-c4cnn(C)n4)c3)cs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 1/20 0.46
▸ SMARCA4 P51532 1/20 0.46
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ABL1 P00519 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ TRPA1 O75762 3/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC3 O15379 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 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
SCHEMBL31173242 0.88 PARP1 (0.47) SMARCA2SMARCA4MAPTHDAC4ALDH1A1
SCHEMBL22305714 0.88 WNT3A (0.45) SMARCA2SMARCA4MEN1KMT2AABL1
SCHEMBL22290647 0.88 PARP1 (0.47) SMARCA2SMARCA4MAPTHDAC4ALDH1A1
SCHEMBL22305368 0.87 MAPT (0.49) SMARCA2SMARCA4MEN1KMT2ASMN1; SMN2
SCHEMBL22306588 0.87 SMARCA2 (0.45) SMARCA2SMARCA4MEN1KMT2AABL1
SCHEMBL22305951 0.86 MAPT (0.55) MEN1KMT2ASMN1; SMN2MAPTHDAC1
SCHEMBL22306345 0.86 ROCK2 (0.47) SMARCA2SMARCA4MEN1KMT2ASMN1; SMN2
SCHEMBL22306414 0.85 WNT3A (0.54) SMARCA2SMARCA4KMT2AABL1ELOVL1
SCHEMBL22306586 0.85 SMARCA2 (0.43) SMARCA2SMARCA4MEN1KMT2AABL1
SCHEMBL22306596 0.85 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2MAPTNPC1

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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