SCHEMBL8143033

SCHEMBL8143033

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF3 O95398 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CTSL P07711 5/20 0.32
▸ CTSS P25774 5/20 0.32
▸ CTSB P07858 3/20 0.32
▸ CTSK P43235 3/20 0.32
▸ PTGDR2 Q9Y5Y4 2/20 0.32
▸ CTSV O60911 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ C1R P00736 1/20 0.31

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 0.90 KDM4E (0.41) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8142479 0.89 KDM4E (0.36) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8155942 0.86 MEN1 (0.40) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8145339 0.86 PSEN1 (0.36) MAPTALDH1A1MEN1KMT2A
SCHEMBL8134922 0.84 METAP2 (0.35) KDM4EHTR6PTGDR2SMN1; SMN2
SCHEMBL8155928 0.82 KDM4E (0.33) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8141582 0.82 KDM4E (0.40) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8145063 0.81 KDM4E (0.34) MAPTKDM4EALDH1A1HTR6MEN1
SCHEMBL8151054 0.79 MAPT (0.36) MAPTHTR6MEN1KMT2ACTSL
SCHEMBL8151051 0.79 MAPT (0.36) MAPTHTR6MEN1KMT2ACTSL

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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