SCHEMBL4727985

SCHEMBL4727985

COc1ccc2c(c1OC)C(=O)N(c1ccc(NC(C)=O)cc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
POLB P06746 10/20 0.77
NPC1 O15118 8/20 0.70
RAB9A P51151 8/20 0.70
SMN1; SMN2 Q16637 6/20 0.57
TP53 P04637 6/20 0.57
TSHR P16473 2/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 4/20 0.55
HSD17B10 Q99714 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
ATM Q13315 1/20 0.53
MAPT P10636 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 3/20 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
SCHEMBL13171356 0.81 RAB9A (1.00) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL4727877 0.80 NPC1 (0.78) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL10085805 0.78 RAB9A (0.74) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL8707866 0.76 MEN1 (0.61) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL21033067 0.72 NPC1 (1.00) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL4726022 0.71 NPC1 (0.76) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL13952300 0.71 RAB9A (0.62) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL8707052 0.70 MEN1 (0.53) KMT2AMEN1POLBKDM4EHSD17B10
SCHEMBL1806107 0.70 RAB9A (0.61) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL13952121 0.69 RAB9A (0.59) KMT2AMEN1POLBNPC1RAB9A

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