SCHEMBL18850945

SCHEMBL18850945

Sc1cn2c(n1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ WDR5 P61964 9/20 0.44
▸ PDPK1 O15530 1/20 0.44
▸ NPC1 O15118 7/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ HTT P42858 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ GFER P55789 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL2716549 0.77 LMNA (0.49) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL24880383 0.75 ALDH1A1 (0.47) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL3733065 0.75 LMNA (0.47) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL408221 0.75 LMNA (0.56) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL8188906 0.75 LMNA (0.47) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL24869886 0.73 LMNA (0.54) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL24879991 0.73 LMNA (0.54) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL23349372 0.73 LMNA (0.46) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL25060981 0.73 LMNA (0.46) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL25061139 0.73 LMNA (0.46) LMNAALDH1A1WDR5PDPK1NPC1

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
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 — — WO disclosed
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