SCHEMBL8927008

SCHEMBL8927008

Cn1c(-c2n[nH]c(=O)o2)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.51
▸ ALDH1A1 P00352 7/20 0.51
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ PKM P14618 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ NOTUM Q6P988 5/20 0.50
▸ THRB P10828 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ GAA P10253 5/20 0.48
▸ GLA P06280 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL1171430 0.74 MEN1 (0.69) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL11396595 0.74 KDM4E (0.52) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL10061924 0.73 ALDH1A1 (0.56) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL3140425 0.72 ALDH1A1 (0.84) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL11393838 0.70 KDM4E (0.53) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL11403993 0.69 NOTUM (0.56) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL20982597 0.69 ALDH1A1 (0.83) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL18890632 0.68 NPC1 (1.00) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL517706 0.68 MEN1 (0.77) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL15315659 0.68 MEN1 (0.61) KDM4EALDH1A1NPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4269846-A BENZOHETEROCYCLIC OXADIAZOLONES AND TRIAZOLONES USV PHARMACEUTICAL CORPORATION (US) 1981-05-26 — — US claimed
US-5648355-A MAST CELL DEGRANULATION-BLOCK AGENTS KOS PHARMACEUTICAL, INC. (US) 1997-07-15 — — US disclosed
US-4269846-A BENZOHETEROCYCLIC OXADIAZOLONES AND TRIAZOLONES USV PHARMACEUTICAL CORPORATION (US) 1981-05-26 — — US disclosed
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