SCHEMBL8142479

SCHEMBL8142479

Cn1nc(C(=O)C(C#N)S(=O)(=O)c2ccccc2)c2ccc3ccccc3c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.36
▸ FDPS P14324 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 8/20 0.34
▸ MAPT P10636 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ CASP7 P55210 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ BRCA1 P38398 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ G6PD P11413 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL8134922 0.92 METAP2 (0.35) KDM4EFDPSHTTSMN1; SMN2METAP2
SCHEMBL8141582 0.90 KDM4E (0.40) KDM4EALDH1A1MAPTKMT2ACASP7
SCHEMBL8153958 0.90 KDM4E (0.41) KDM4EFDPSGAAALDH1A1MAPT
SCHEMBL8143033 0.89 RAPGEF3 (0.35) KDM4EALDH1A1MAPTKMT2ACASP7
SCHEMBL8145063 0.89 KDM4E (0.34) KDM4EGAAALDH1A1MAPTKMT2A
SCHEMBL8155942 0.87 MEN1 (0.40) KDM4EGAAALDH1A1MAPTKMT2A
SCHEMBL8145339 0.86 PSEN1 (0.36) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL8155928 0.86 KDM4E (0.33) KDM4EGAAALDH1A1MAPTKMT2A
SCHEMBL8149911 0.85 HTR3A (0.35) KDM4EGAAALDH1A1MAPTKMT2A
SCHEMBL8152609 0.79 CTNNB1 (0.34) KDM4EFDPSALDH1A1MAPTKMT2A

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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