SCHEMBL9411557

SCHEMBL9411557

O=C(O)Oc1cccc2ncc(C3CCCCC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMO O15229 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
DHODH Q02127 2/20 0.40
PSMB5 P28074 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
EGLN1 Q9GZT9 3/20 0.36
CAMKK1 Q8N5S9 2/20 0.36
CAMKK2 Q96RR4 2/20 0.36
MALT1 Q9UDY8 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
SCHEMBL8867391 0.81 DHODH (0.51) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL8867889 0.76 PSMB5 (0.45) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL1398196 0.74 CYP1A2 (0.41) KDM4EHTTKMT2ASMN1; SMN2ESR1
SCHEMBL8867753 0.74 TLR7 (0.42) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL8967010 0.73 MET (0.44) HTTPDGFRBPDGFRAPSMB5CAMKK2
SCHEMBL27190487 0.73 KDM4E (0.59) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL9411413 0.73 PDE4B (0.43) HTTKMT2ADHODH
SCHEMBL9414452 0.71 EGLN1 (0.40) HTTKMT2ADHODHEGLN1
SCHEMBL247376 0.70 PTGDR2 (0.52) KMT2AKMOPTGDR2ESR1ESR2
SCHEMBL14775410 0.69 CXCR5 (0.43) KDM4EKMT2AKMOPTGDR2ESR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627427-A1 3-Quinolyl substituted dihydropyridines, process for their preparation and their use in drugs BAYER AG (DE) 1994-12-07 EP disclosed