SCHEMBL31173442

SCHEMBL31173442

CN1Cc2ccc(-c3csc(NC(=O)CNC(=O)c4ccn(C(C)(C)C)c4)n3)cc2N(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ MAPT P10636 5/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ABCC8 Q09428 1/20 0.37
▸ KCNJ11 Q14654 1/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ LMNA P02545 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ TRPA1 O75762 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ GAA P10253 1/20 0.35

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 1.00 KMT2A (0.37) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL22290836 0.87 HDAC1 (0.39) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL22306174 0.85 HDAC1 (0.41) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL22290446 0.84 POLB (0.44) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL22290419 0.83 ALDH1A1 (0.40) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL31173155 0.83 ALDH1A1 (0.40) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL30315938 0.83 HDAC3 (0.44) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL22290429 0.80 TRPA1 (0.41) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL31173245 0.80 TRPA1 (0.41) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL22290536 0.80 TRPA1 (0.39) KMT2AMEN1MAPTHPGDSMN1; SMN2

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
CN-113645971-B Compounds and uses thereof 福宏治疗公司 2024-10-18 — — CN disclosed
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