SCHEMBL22306174

SCHEMBL22306174

CN1CCCc2ccc(-c3csc(NC(=O)CNC(=O)c4ccn(C(C)(C)C)c4)n3)cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ ACHE P22303 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ ALK Q9UM73 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL22290716 0.85 KMT2A (0.37) HDAC1HDAC2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL22290419 0.85 ALDH1A1 (0.40) HDAC1HDAC2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL31173155 0.85 ALDH1A1 (0.40) HDAC1HDAC2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL31173442 0.85 KMT2A (0.37) HDAC1HDAC2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL22290836 0.83 HDAC1 (0.39) HDAC1HDAC2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL31173274 0.80 MEN1 (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL22290392 0.80 MEN1 (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL22305489 0.80 MAPT (0.52) HDAC1HDAC2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL22305493 0.80 MAPT (0.47) HDAC1HDAC2ALDH1A1KMT2AMEN1
SCHEMBL22290429 0.79 TRPA1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA

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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