SCHEMBL4725484

SCHEMBL4725484

Cc1cccn2cc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
KDM4E B2RXH2 8/20 0.67
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
NPC1 O15118 9/20 0.65
RAB9A P51151 9/20 0.65
TP53 P04637 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 2/20 0.61
TSHR P16473 2/20 0.61
HRH3 Q9Y5N1 3/20 0.60
GAA P10253 3/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
HPGD P15428 4/20 0.58
HSD17B10 Q99714 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
PKM P14618 1/20 0.57
POLB P06746 2/20 0.51

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
SCHEMBL1494896 0.86 ALDH1A1 (0.71) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL1494792 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL1494793 0.83 TP53 (0.78) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL1494878 0.83 KDM4E (0.78) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL12726227 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL1495011 0.82 KDM4E (0.69) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL24733341 0.81 KDM4E (0.74) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL12726066 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL4728069 0.81 NPC1 (0.67) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL1494779 0.81 KDM4E (1.00) ALDH1A1KDM4EKMT2AMEN1NPC1

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-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed