SCHEMBL3716583

SCHEMBL3716583

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.61
MAPT P10636 4/20 0.61
THRB P10828 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
IMPDH2 P12268 2/20 0.49
POLB P06746 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL2240335 0.85 NPC1 (0.70) TP53MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL2242957 0.85 TP53 (0.62) TP53MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL4034654 0.84 MAPT (0.63) TP53MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL4034648 0.84 MAPT (0.63) TP53MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL3953026 0.83 MAPT (0.62) TP53MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL3953020 0.83 MAPT (0.62) TP53MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL2247720 0.80 MAPT (0.78) TP53MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL2247792 0.79 NPC1 (0.64) TP53MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL3947178 0.78 TP53 (0.64) TP53MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL2242964 0.78 SMN1; SMN2 (0.74) TP53MAPTTHRBSMN1; 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-2010112091-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-10-07 WO claimed