SCHEMBL3947178

SCHEMBL3947178

O=C(CCO)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.64
MAPT P10636 7/20 0.64
THRB P10828 2/20 0.60
KDR P35968 2/20 0.59
AGPAT2 O15120 5/20 0.56
POLB P06746 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
HPGD P15428 2/20 0.54
RAB9A P51151 2/20 0.54
HSD17B10 Q99714 2/20 0.54
LMNA P02545 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CASP3 P42574 1/20 0.51

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
SCHEMBL2242957 0.85 TP53 (0.62) TP53MAPTTHRBKDRAGPAT2
SCHEMBL2247720 0.83 MAPT (0.78) TP53MAPTTHRBPOLBRXFP1
SCHEMBL2240335 0.82 NPC1 (0.70) TP53MAPTTHRBPOLBSMN1; SMN2
SCHEMBL2247182 0.82 AGPAT2 (0.74) TP53MAPTKDRAGPAT2POLB
SCHEMBL4034648 0.80 MAPT (0.63) TP53MAPTTHRBKDRSMN1; SMN2
SCHEMBL4034654 0.80 MAPT (0.63) TP53MAPTTHRBKDRSMN1; SMN2
SCHEMBL3953026 0.79 MAPT (0.62) TP53MAPTTHRBKDRSMN1; SMN2
SCHEMBL3953020 0.79 MAPT (0.62) TP53MAPTTHRBKDRSMN1; SMN2
SCHEMBL7779128 0.78 MAPT (0.75) TP53MAPTTHRBPOLBRXFP1
SCHEMBL3716583 0.78 TP53 (0.61) TP53MAPTTHRBPOLBRXFP1

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-2009021750-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO disclosed