SCHEMBL8066701

SCHEMBL8066701

Cn1nc(C(=O)C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ ELANE P08246 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ NSD2 O96028 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ DDX3X O00571 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL8123349 0.87 MEN1 (0.45) SMN1; SMN2MEN1KMT2AHIF1AALDH1A1
SCHEMBL8061142 0.85 KDM4E (0.44) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL8060295 0.85 RAPGEF3 (0.48) SMN1; SMN2MEN1KMT2AELANEHIF1A
Water SCHEMBL8066910 0.85 KDM4E (0.49) ELANEALDH1A1KDM4E
SCHEMBL8060667 0.85 KDM4E (0.49) ELANEALDH1A1KDM4E
SCHEMBL8064870 0.82 MEN1 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL8060382 0.80 KDM4E (0.46) SMN1; SMN2MEN1KMT2AELANEALDH1A1
SCHEMBL8049935 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AELANEHIF1A
SCHEMBL8066587 0.78 KDM4E (0.46) SMN1; SMN2MEN1KMT2AELANEHIF1A
SCHEMBL8061148 0.77 SRC (0.43) SMN1; SMN2ELANEMAPTHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001941-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS KYNURENINE-3-HYDROXYLASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 2000-05-24 — — EP claimed
WO-1999006375-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS KYNURENINE-3-HYDROXYLASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-02-11 — — WO claimed
EP-1001941-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS KYNURENINE-3-HYDROXYLASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 2000-05-24 — — EP disclosed
WO-1999006375-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS KYNURENINE-3-HYDROXYLASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-02-11 — — WO disclosed
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