SCHEMBL14740990

SCHEMBL14740990

CC(=O)CCc1ccc2nc(-c3ccccc3)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.58
SENP8 Q96LD8 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
VSIR Q9H7M9 1/20 0.48
NAMPT P43490 1/20 0.48
FFAR1 O14842 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL14626711 0.87 CASP3 (0.61) CASP3SENP8SENP7SENP6NPC1
SCHEMBL1905836 0.82 VSIR (0.53) CASP3SENP8SENP7SENP6NPC1
SCHEMBL12676667 0.82 SMN1; SMN2 (0.51) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4417082 0.81 KDM4E (0.62) CASP3SENP8SENP7SENP6NPC1
SCHEMBL28267364 0.80 PSMB5 (0.56) CASP3SENP8SENP7SENP6NPC1
SCHEMBL14740938 0.80 POLB (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL15014132 0.79 NPC1 (0.57) CASP3SENP8SENP7SENP6NPC1
SCHEMBL3096924 0.79 SMN1; SMN2 (0.54) CASP3SENP8SENP7SENP6NPC1
SCHEMBL3103371 0.79 CASP3 (0.54) CASP3SENP8SENP7SENP6NPC1
SCHEMBL14591806 0.79 CASP3 (0.54) CASP3SENP8SENP7SENP6NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed