SCHEMBL8145339

SCHEMBL8145339

Cn1nc(C(=O)C(C#N)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ MET P08581 1/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ DDR2 Q16832 1/20 0.35
▸ NFKBIA P25963 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL8153958 0.87 KDM4E (0.41) MAPK14DDR2KMT2AMEN1GAA
SCHEMBL8142479 0.86 KDM4E (0.36) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL8143033 0.86 RAPGEF3 (0.35) KMT2AMEN1ALDH1A1MAPT
SCHEMBL8155942 0.83 MEN1 (0.40) KMT2AMEN1CNR2GAAHTT
SCHEMBL8134922 0.83 METAP2 (0.35) HTTMMP2MMP9
SCHEMBL8152068 0.81 ALOX5 (0.41) KMT2AMEN1GAAHTTLMNA
SCHEMBL8141582 0.81 KDM4E (0.40) KMT2AMEN1CNR2HTTLMNA
SCHEMBL8145063 0.78 KDM4E (0.34) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL8149911 0.74 HTR3A (0.35) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL8152609 0.69 CTNNB1 (0.34) KMT2AHTTALDH1A1MAPK1POLB

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-1019380-A2 TRICYCLIC 3-OXO-PROPANENITRILE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 2000-07-19 — — EP claimed
WO-1999016753-A2 TRICYCLIC 3-OXO-PROPANENITRILE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1999-04-08 — — WO claimed
EP-1019380-A2 TRICYCLIC 3-OXO-PROPANENITRILE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 2000-07-19 — — EP disclosed
WO-1999016753-A2 TRICYCLIC 3-OXO-PROPANENITRILE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1999-04-08 — — WO disclosed
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