SCHEMBL9435545

SCHEMBL9435545

COc1ccc(-c2cn3c(n2)CCCC3)cc1

nearest known ligand 0.91

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 11/20 0.91
NPC1 O15118 6/20 0.89
RAB9A P51151 6/20 0.89
LMNA P02545 4/20 0.89
KMT2A Q03164 3/20 0.89
SMN1; SMN2 Q16637 3/20 0.89
GAA P10253 2/20 0.89
ALDH1A1 P00352 4/20 0.69
HRH3 Q9Y5N1 1/20 0.62
HTT P42858 2/20 0.60
KDM4E B2RXH2 1/20 0.58
MAPT P10636 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
GFER P55789 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL9199162 0.95 WDR5 (1.00) WDR5NPC1RAB9ALMNAKMT2A
SCHEMBL10749972 0.85 WDR5 (0.69) WDR5NPC1RAB9ALMNAKMT2A
SCHEMBL18281469 0.82 LMNA (0.94) WDR5NPC1RAB9ALMNAKMT2A
SCHEMBL24264985 0.82 WDR5 (0.63) WDR5NPC1RAB9ALMNAKMT2A
Hydrochloric Acid SCHEMBL5301356 0.81 LMNA (0.67) WDR5NPC1RAB9ALMNAKMT2A
Hydrochloric Acid SCHEMBL30309713 0.81 ALDH1A1 (0.63) WDR5NPC1RAB9ALMNAKMT2A
Hydrochloric Acid SCHEMBL5300777 0.81 LMNA (0.97) WDR5NPC1RAB9ALMNAKMT2A
SCHEMBL9698908 0.80 LMNA (0.70) WDR5NPC1RAB9ALMNAKMT2A
SCHEMBL5308466 0.80 ALDH1A1 (0.70) WDR5NPC1RAB9ALMNAKMT2A
SCHEMBL5778043 0.80 LMNA (0.70) WDR5NPC1RAB9ALMNAKMT2A

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-0231622-B1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
WO-1990003789-A1 PYRROLO[1,2-a]IMIDAZOLE AND IMIDAZO[1,2-a]PYRIDINE DERIVATIVES AND THEIR USE AS 5-LYPOXYGENASE PATHWAY INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-04-19 WO disclosed
EP-0364204-A1 Pyrrolo[1,2-a]imidazole and imidazo[1,2-a]pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-04-18 EP disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP disclosed