SCHEMBL9686876

SCHEMBL9686876

Cn1nc(N)c(C#N)c1C1=CC(=O)CCC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 5/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 3/20 0.32
GAA P10253 2/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LRRK2 Q5S007 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL24373936 0.65 DRD2 (0.42) ALDH1A1POLBMAPTKMT2A
SCHEMBL20075377 0.64 ADORA2A (0.47) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL18987920 0.64 MEN1 (0.47) LMNAKDM4EALDH1A1HPGDHTT
SCHEMBL11543788 0.63 LMNA (0.41) LMNAKDM4EALDH1A1POLBGAA
SCHEMBL5740490 0.62 LMNA (0.44) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL7922166 0.61 LMNA (0.41) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL8788378 0.59 PARP1 (0.32) KDM4EALDH1A1
SCHEMBL11546547 0.59 LMNA (0.51) LMNAKDM4EALDH1A1POLBGAA
SCHEMBL11549662 0.58 LRRK2 (0.46) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL16446184 0.58 LMNA (0.38) LMNAKDM4EALDH1A1POLBHTT

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-0273176-B1 FUSED HETEROCYCLIC TETRAHYDROAMINOQUINOLINOLS AND RELATED COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-06-24 EP disclosed
EP-0273176-A2 Fused heterocyclic tetrahydroaminoquinolinols and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-07-06 EP disclosed