SCHEMBL17226775

SCHEMBL17226775

O=C(O)c1cccc(-c2nnc(-c3ccc4c(c3)C=CCN4)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 2/20 0.48
▸ NPC1 O15118 10/20 0.47
▸ RAB9A P51151 10/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ HPGD P15428 5/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CD74 P04233 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMO O15229 2/20 0.39
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.38

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 0.78 NPC1 (0.66) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12171364 0.76 NPC1 (0.73) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4395868 0.76 NPC1 (0.72) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12482950 0.76 KDM4E (0.45) KMT2AALDH1A1HPGDMAPK1MEN1
SCHEMBL18708511 0.74 MYC (0.50) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10483674 0.73 MYC (0.67) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12171944 0.72 ALDH1A1 (0.56) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12171784 0.72 NPC1 (0.62) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12171743 0.72 NPC1 (0.74) MYCNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12798166 0.72 NPC1 (0.62) 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
EP-3067053-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2016-09-14 — — EP disclosed
EP-2939674-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2015-11-04 — — EP disclosed
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