SCHEMBL18708489

SCHEMBL18708489

O=C(O)c1cccc(-c2nnc(-c3ccc(-n4cccn4)cc3)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 2/20 0.53
▸ NPC1 O15118 8/20 0.52
▸ RAB9A P51151 8/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ KDM5A P29375 1/20 0.50
▸ KDM2B Q8NHM5 1/20 0.50
▸ KDM4C Q9H3R0 1/20 0.50
▸ KDM5B Q9UGL1 1/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ HPGD P15428 5/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ STIM1 Q13586 5/20 0.46
▸ ORAI1 Q96D31 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MGLL Q99685 1/20 0.43
▸ ADCY8 P40145 1/20 0.42
▸ ADCY1 Q08828 1/20 0.42

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
SCHEMBL18708494 0.89 NPC1 (0.61) MYCNPC1RAB9AKMT2AKDM5A
SCHEMBL12798145 0.83 MYC (0.57) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12171594 0.82 MYC (0.52) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12171364 0.80 NPC1 (0.73) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4395868 0.80 NPC1 (0.72) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL11579267 0.80 NPC1 (0.66) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1675428 0.80 TTR (0.47) NPC1RAB9AKDM5AKDM2BKDM4C
SCHEMBL12171784 0.79 NPC1 (0.62) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10194338 0.79 KDM5A (0.53) KDM5AKDM2BKDM4CKDM5BALDH1A1
SCHEMBL12171906 0.78 NPC1 (0.62) MYCNPC1RAB9AKMT2AKDM5A

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
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