SCHEMBL6578481

SCHEMBL6578481

COc1c(N)ccc(SC)c1COc1cccc2ccc(C)nc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.43
KDM4E B2RXH2 6/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.39
MCHR1 Q99705 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL6580622 0.87 BDKRB2 (0.55) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL6578777 0.85 BDKRB2 (0.62) BDKRB2MEN1KMT2APTGDR2
SCHEMBL6580766 0.82 BDKRB2 (0.54) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL6576248 0.80 BDKRB2 (0.52) BDKRB2
SCHEMBL6581519 0.78 MCHR1 (0.50) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL6578830 0.77 BDKRB2 (0.60) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL6581462 0.76 BDKRB2 (0.58) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL6578484 0.76 NCF1 (0.39) KDM4EHTTLMNAALDH1A1MAPT
SCHEMBL6578383 0.75 BDKRB2 (0.51) BDKRB2MEN1KMT2APTGDR2KDM4E
SCHEMBL14223557 0.74 BDKRB2 (0.56) BDKRB2MEN1KMT2APTGDR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867432-B1 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists AVENTIS PHARMA GMBH (DE) 2004-06-09 EP disclosed
US-6211196-B1 8-BENZYLOXY-(TETRAHYDRO)QUINOLINE DERIVATIVES; LIVER CIRRHOSIS, ALZHEIMER*S DISEASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-03 US disclosed
EP-0867432-A2 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-30 EP disclosed