SCHEMBL4034648

SCHEMBL4034648

C[C@H](N)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
TP53 P04637 4/20 0.63
THRB P10828 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
RAB9A P51151 1/20 0.59
IMPDH2 P12268 3/20 0.55
KDR P35968 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
SCHEMBL4034654 1.00 MAPT (0.63) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL2240335 0.92 NPC1 (0.70) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL3953026 0.89 MAPT (0.62) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL3953020 0.89 MAPT (0.62) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL3716583 0.84 TP53 (0.61) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL2245123 0.83 KDM4E (0.59) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL2246997 0.83 NPC1 (0.73) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL2247720 0.82 MAPT (0.78) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL2242964 0.81 SMN1; SMN2 (0.74) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL2245043 0.81 CASP3 (0.72) MAPTTP53THRBSMN1; SMN2KDM4E

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