SCHEMBL5730258

SCHEMBL5730258

Cc1ccc(C#CCN2CCCCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.79
HRH3 Q9Y5N1 11/20 0.55
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRIN1 Q05586 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL12203973 0.98 LMNA (0.81) LMNAHRH3MEN1NPC1MITF
SCHEMBL22422293 0.91 LMNA (0.96) LMNAHRH3KDM4EALDH1A1GAA
SCHEMBL18926546 0.89 LMNA (1.00) LMNAHRH3MEN1KMT2AALDH1A1
SCHEMBL17676101 0.86 LMNA (0.63) LMNAHRH3KMT2ANPSR1KDM4E
SCHEMBL24474658 0.83 LMNA (0.58) LMNAHRH3MEN1NPC1MITF
SCHEMBL3453099 0.82 LMNA (0.79) LMNAHRH3KDM4EALDH1A1GAA
SCHEMBL5730065 0.81 LMNA (0.78) LMNAHRH3MEN1HTTKMT2A
SCHEMBL5894352 0.81 LMNA (0.71) LMNAHRH3KMT2APOLBKDM4E
SCHEMBL5731583 0.80 LMNA (0.59) LMNAHRH3HTTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5894403 0.80 LMNA (0.69) LMNAHRH3MEN1HTTKMT2A

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-1420644-B1 SUBSTITUTED PROPARGYLAMINES BAYER CROPSCIENCE SA (FR) 2006-05-31 EP claimed