SCHEMBL8152931

SCHEMBL8152931

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.44
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ PTBP1 P26599 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNJ11 Q14654 1/20 0.39
▸ CES2 O00748 2/20 0.37
▸ ELANE P08246 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ NPY5R Q15761 1/20 0.36

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
SCHEMBL8155111 0.87 ELANE (0.41) MEN1KMT2AKCNJ11ELANENPC1
SCHEMBL8152609 0.86 CTNNB1 (0.34) KMT2AMAPTKDM4EHPGDHTT
SCHEMBL8135372 0.86 MEN1 (0.50) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8155942 0.83 MEN1 (0.40) CNR2MEN1KMT2AMAPTGAA
SCHEMBL8152068 0.83 ALOX5 (0.41) MEN1KMT2AMAPTGAALMNA
SCHEMBL8153984 0.82 SMN1; SMN2 (0.35) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL8149948 0.81 HPGD (0.34) MEN1KMT2AMAPTGAALMNA
SCHEMBL8144738 0.79 NPC1 (0.38) CNR2MEN1KMT2AMAPTLMNA
SCHEMBL8153420 0.76 MEN1 (0.37) CNR2MEN1KMT2AMAPTGAA
SCHEMBL8153423 0.76 MEN1 (0.37) CNR2MEN1KMT2AMAPTGAA

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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