SCHEMBL8155942

SCHEMBL8155942

Cn1nc(C(=O)C(C#N)S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CNR2 P34972 1/20 0.38
▸ PPARG P37231 6/20 0.36
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ PTBP1 P26599 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ PDPK1 O15530 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34

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) MEN1KMT2AGAAKDM4EHTT
SCHEMBL8142479 0.87 KDM4E (0.36) MEN1KMT2AGAAKDM4EHTT
SCHEMBL8143033 0.86 RAPGEF3 (0.35) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL8145339 0.83 PSEN1 (0.36) MEN1KMT2ACNR2GAAHTT
SCHEMBL8134922 0.83 METAP2 (0.35) KDM4EHTTHSP90AA1SMN1; SMN2PDPK1
SCHEMBL8152931 0.83 CNR2 (0.44) MEN1KMT2ACNR2GAAKDM4E
SCHEMBL8145063 0.81 KDM4E (0.34) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL8141582 0.80 KDM4E (0.40) MEN1KMT2ACNR2KDM4EHTT
SCHEMBL8153423 0.80 MEN1 (0.37) MEN1KMT2ACNR2PPARGGAA
SCHEMBL8153420 0.80 MEN1 (0.37) MEN1KMT2ACNR2PPARGGAA

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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