SCHEMBL3953026

SCHEMBL3953026

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.62
▸ TP53 P04637 5/20 0.62
▸ IMPDH2 P12268 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ THRB P10828 2/20 0.58
▸ KDR P35968 1/20 0.55
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53

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
SCHEMBL3953020 1.00 MAPT (0.62) MAPTTP53IMPDH2SMN1; SMN2NPC1
SCHEMBL2240335 0.91 NPC1 (0.70) MAPTTP53IMPDH2SMN1; SMN2NPC1
SCHEMBL4034648 0.89 MAPT (0.63) MAPTTP53IMPDH2SMN1; SMN2NPC1
SCHEMBL4034654 0.89 MAPT (0.63) MAPTTP53IMPDH2SMN1; SMN2NPC1
SCHEMBL3716583 0.83 TP53 (0.61) MAPTTP53IMPDH2SMN1; SMN2NPC1
SCHEMBL2245123 0.82 KDM4E (0.59) MAPTTP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL2246997 0.82 NPC1 (0.73) MAPTTP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL2251250 0.81 CASP3 (0.71) MAPTTP53IMPDH2SMN1; SMN2NPC1
SCHEMBL2251243 0.81 CASP3 (0.71) MAPTTP53IMPDH2SMN1; SMN2NPC1
SCHEMBL2247720 0.81 MAPT (0.78) MAPTTP53SMN1; SMN2NPC1ALDH1A1

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
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