SCHEMBL28654777

SCHEMBL28654777

CNC(=O)c1ccc(Nc2ccc3c(c2)NC(=O)C3)c(N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 3/20 0.60
▸ MAPK14 Q16539 3/20 0.50
▸ HDAC3 O15379 2/20 0.49
▸ SMYD3 Q9H7B4 4/20 0.47
▸ HDAC1 Q13547 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GFER P55789 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ RCE1 Q9Y256 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
SCHEMBL31139506 1.00 CRBN (0.60) CRBNMAPK14HDAC3SMYD3HDAC1
SCHEMBL20774011 0.83 CRBN (0.60) CRBNMAPK14HDAC3SMYD3L3MBTL1
SCHEMBL30800736 0.83 CRBN (0.60) CRBNMAPK14HDAC3SMYD3L3MBTL1
SCHEMBL28657524 0.83 CRBN (0.56) CRBNSMYD3GAAMAPTSMN1; SMN2
SCHEMBL5316057 0.82 CRBN (0.81) CRBNHDAC3SMYD3HDAC1EPHX2
SCHEMBL28669417 0.80 HDAC3 (0.44) CRBNMAPK14HDAC3SMYD3KDM4E
SCHEMBL31139519 0.80 HDAC3 (0.44) CRBNMAPK14HDAC3SMYD3KDM4E
SCHEMBL23175457 0.76 CRBN (1.00) CRBNMAPK14SMYD3EPHX2
SCHEMBL29899649 0.76 CRBN (1.00) CRBNMAPK14SMYD3EPHX2
SCHEMBL20773006 0.74 BCL6 (0.57) MAPK14KDM4EGAAMAPTGFER

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-113557235-A Heterocyclic compounds for use in medical therapy C4医药公司 2021-10-26 — — CN disclosed
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