SCHEMBL8867889

SCHEMBL8867889

O=Cc1cccc2ncc(C3CCCCC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.45
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
CYP11B2 P19099 1/20 0.36
KMO O15229 1/20 0.36
DHODH Q02127 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
BACE1 P56817 1/20 0.35

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
SCHEMBL8867391 0.77 DHODH (0.51) PSMB5KMT2ASMN1; SMN2KDM4ETDP1
SCHEMBL9411557 0.76 KDM4E (0.44) PSMB5PDGFRBPDGFRAKMT2ASMN1; SMN2
SCHEMBL8867753 0.75 TLR7 (0.42) PSMB5PDGFRBPDGFRAKMT2ASMN1; SMN2
SCHEMBL1398173 0.71 CYP1A2 (0.46) PSMB5KMT2ASMN1; SMN2KDM4ETDP1
SCHEMBL22288210 0.71 PSMB5 (0.64) PSMB5PDGFRBPDGFRAKMT2ASMN1; SMN2
SCHEMBL23262666 0.71 TRIM24 (0.42) KMT2AKDM4ETDP1L3MBTL1HTT
SCHEMBL29953935 0.71 ERN1 (0.47) KMT2AKDM4ETDP1L3MBTL1MEN1
SCHEMBL29923876 0.70 KDM4E (0.43) PSMB5PDGFRBPDGFRAKDM4ETLR7
SCHEMBL24916333 0.70 KDM4E (0.43) PSMB5PDGFRBPDGFRAKDM4ETLR7
SCHEMBL3088721 0.69 PSMB5 (0.61) PSMB5PDGFRBPDGFRAKMT2ASMN1; SMN2

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
US-5629320-A INOTROPIC AGENTS, HYPOTENSIVE AGENTS, OTHER CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1997-05-13 US disclosed
US-5550245-A INTERMEDIATES FOR AGENTS USED IN THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-27 US disclosed
US-5504210-A TREATMENT FOR CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
EP-0627427-A1 3-Quinolyl substituted dihydropyridines, process for their preparation and their use in drugs BAYER AG (DE) 1994-12-07 EP disclosed