SCHEMBL9293256

SCHEMBL9293256

CSc1ccc(-c2cn3c(n2)CCC3)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 11/20 0.66
LMNA P02545 4/20 0.66
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
HTT P42858 2/20 0.66
ALDH1A1 P00352 3/20 0.65
KDM4E B2RXH2 1/20 0.64
KMT2A Q03164 2/20 0.63
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
HRH3 Q9Y5N1 1/20 0.47
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47

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
SCHEMBL24265732 0.95 LMNA (0.69) WDR5LMNANPC1RAB9AHTT
SCHEMBL4839735 0.80 WDR5 (0.71) WDR5LMNANPC1RAB9AHTT
SCHEMBL989261 0.79 WDR5 (1.00) WDR5LMNANPC1RAB9AHTT
SCHEMBL9199162 0.79 WDR5 (1.00) WDR5LMNANPC1RAB9AHTT
SCHEMBL9700032 0.78 WDR5 (0.73) WDR5LMNANPC1RAB9AHTT
SCHEMBL18281469 0.77 LMNA (0.94) WDR5LMNANPC1RAB9AHTT
Bromide SCHEMBL9839171 0.76 WDR5 (0.71) WDR5LMNANPC1RAB9AHTT
Hydrochloric Acid SCHEMBL5300777 0.76 LMNA (0.97) WDR5LMNANPC1RAB9AHTT
SCHEMBL10749027 0.75 LMNA (0.48) WDR5LMNANPC1RAB9AHTT
SCHEMBL9698908 0.75 LMNA (0.70) WDR5LMNANPC1RAB9AHTT

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-0533837-A4 INHIBITION OF 5-LIPOXYGENASE AND CYCLOOXYGENASE PATHWAY MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 1994-11-17 EP disclosed
EP-0533837-A1 INHIBITION OF 5-LIPOXYGENASE AND CYCLOOXYGENASE PATHWAY MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-03-31 EP disclosed
WO-1991019497-A1 INHIBITION OF 5-LIPOXYGENASE AND CYCLOOXYGENASE PATHWAY MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-26 WO disclosed