SCHEMBL8150910

SCHEMBL8150910

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPT P10636 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ FDPS P14324 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ METAP2 P50579 1/20 0.30
▸ METAP1 P53582 1/20 0.30

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
SCHEMBL8150907 1.00 KMT2A (0.38) KMT2ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL8151811 0.93 PKM (0.36) KMT2ASMN1; SMN2PKML3MBTL1METAP2
SCHEMBL8151809 0.93 PKM (0.36) KMT2ASMN1; SMN2PKML3MBTL1METAP2
SCHEMBL8154437 0.91 POLB (0.36) KMT2ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL8154433 0.91 POLB (0.36) KMT2ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL8151051 0.90 MAPT (0.36) KMT2ASMN1; SMN2MAPTMEN1PKM
SCHEMBL8151054 0.90 MAPT (0.36) KMT2ASMN1; SMN2MAPTMEN1PKM
SCHEMBL8153420 0.88 MEN1 (0.37) KMT2ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL8153423 0.88 MEN1 (0.37) KMT2ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL8151629 0.86 KMT2A (0.35) KMT2ASMN1; SMN2GAAPKM

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 2 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 disclosed
WO-1999016753-A2 TRICYCLIC 3-OXO-PROPANENITRILE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1999-04-08 — — WO disclosed
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