SCHEMBL8152068

SCHEMBL8152068

Cn1nc(C(=O)C(C#N)C(=O)c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ ABCC9 O60706 1/20 0.38
▸ ABCC8 Q09428 1/20 0.38
▸ KCNJ11 Q14654 1/20 0.38

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 0.86 ELANE (0.41) MEN1KMT2ASLC6A2CHRNB4CHRNA3
SCHEMBL8152609 0.85 CTNNB1 (0.34) SMN1; SMN2KMT2AMAPTTDP1POLB
SCHEMBL8152931 0.83 CNR2 (0.44) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL8145339 0.81 PSEN1 (0.36) ALOX5MEN1KMT2ALMNAMAPT
SCHEMBL8153984 0.80 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL8144738 0.78 NPC1 (0.38) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL8149948 0.78 HPGD (0.34) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL8158627 0.74 MEN1 (0.32) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL8151033 0.73 FLT3 (0.41) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL8143616 0.73 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2ALMNAMAPT

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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