SCHEMBL18708461

SCHEMBL18708461

Cc1ccc(-c2nnc(-c3cccc(C(=O)O)c3)o2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.54
RARA P10276 1/20 0.52
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52
NPC1 O15118 13/20 0.51
RAB9A P51151 13/20 0.51
SMN1; SMN2 Q16637 8/20 0.51
TSHR P16473 5/20 0.51
HPGD P15428 5/20 0.51
ALDH1A1 P00352 5/20 0.51
TP53 P04637 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HSD17B10 Q99714 2/20 0.51
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
CA1 P00915 1/20 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
SCHEMBL18708449 0.90 MYC (0.54) MYCRARARARBRARGNPC1
SCHEMBL12171448 0.88 NPC1 (0.68) MYCRARARARBRARGNPC1
SCHEMBL12170929 0.88 MYC (0.56) MYCRARARARBRARGNPC1
SCHEMBL18708465 0.86 NPC1 (0.59) MYCRARARARBRARGNPC1
SCHEMBL12171415 0.85 NPC1 (0.52) MYCRARARARBRARGNPC1
SCHEMBL12171750 0.85 MYC (0.56) MYCRARARARBRARGNPC1
SCHEMBL4414554 0.85 NPC1 (0.57) MYCNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL12171898 0.84 NPC1 (0.69) MYCNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL12172030 0.84 MYC (0.55) MYCRARARARBRARGNPC1
SCHEMBL12171918 0.84 CA1 (0.52) MYCRARARARBRARGNPC1

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
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 US disclosed