SCHEMBL8149948

SCHEMBL8149948

Cn1nc(C(=O)C(C#N)C(=O)c2ccccc2)c2ccc3ccc(F)cc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALPG P10696 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PTGDR2 Q9Y5Y4 2/20 0.31
▸ PTGIR P43119 1/20 0.31
▸ PTGDR Q13258 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ MEN1 O00255 2/20 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
SCHEMBL8153984 0.90 SMN1; SMN2 (0.35) HPGDSMN1; SMN2LMNAALPGALDH1A1
SCHEMBL8152609 0.89 CTNNB1 (0.34) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL8131769 0.88 SRC (0.37) HPGDSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL8145063 0.82 KDM4E (0.34) HPGDALDH1A1MAPTKDM4EPTGDR2
SCHEMBL8155111 0.82 ELANE (0.41) KMT2AMEN1ELANE
SCHEMBL8152931 0.81 CNR2 (0.44) HPGDSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL8143240 0.80 HTR3A (0.36) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL8144738 0.80 NPC1 (0.38) LMNAALPGALDH1A1MAPTKDM4E
SCHEMBL8158627 0.80 MEN1 (0.32) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL8151959 0.79 MAPT (0.38) SMN1; SMN2LMNAALDH1A1MAPTKDM4E

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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