SCHEMBL18708511

SCHEMBL18708511

O=C(O)c1cccc(-c2nnc(-c3ccc4c(c3)NCC4)o2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.50
▸ NPC1 O15118 9/20 0.49
▸ RAB9A P51151 9/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TSHR P16473 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ADCY8 P40145 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ADCY1 Q08828 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CD74 P04233 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ TDP2 O95551 1/20 0.41

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
SCHEMBL11579267 0.80 NPC1 (0.66) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12171364 0.78 NPC1 (0.73) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4395868 0.77 NPC1 (0.72) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18708458 0.77 MYC (0.51) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10483674 0.75 MYC (0.67) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12171984 0.75 NPC1 (0.59) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17226775 0.74 MYC (0.48) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL29906797 0.74 KDM4E (0.60) KMT2ASMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL3096217 0.74 KDM4E (0.60) KMT2ASMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL12171944 0.74 ALDH1A1 (0.56) MYCNPC1RAB9AKMT2ASMN1; SMN2

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
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
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
Send feedback