SCHEMBL4726022

SCHEMBL4726022

COc1ccc2c(c1OC)C(=O)N(c1cccc(F)c1)C2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.76
RAB9A P51151 8/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
TP53 P04637 3/20 0.76
TSHR P16473 2/20 0.76
GAA P10253 1/20 0.76
MAPT P10636 1/20 0.73
NFKB1 P19838 1/20 0.73
NFKB2 Q00653 1/20 0.73
RELA Q04206 1/20 0.73
POLB P06746 4/20 0.66
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 4/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 3/20 0.57
MEN1 O00255 1/20 0.56
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTR2C P28335 5/20 0.47

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
SCHEMBL21033067 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL13171356 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL4224723 0.78 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL4727877 0.77 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL10085805 0.75 RAB9A (0.74) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL13952300 0.72 RAB9A (0.62) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL4225429 0.71 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL4727985 0.71 KMT2A (1.00) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL1806107 0.71 RAB9A (0.61) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL4224669 0.71 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53TSHR

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-2008029168-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed