SCHEMBL5482125

SCHEMBL5482125

Cc1ncc[nH]1.N#CCc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 4/20 0.38
LIN28A Q9H9Z2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
MAPK1 P28482 1/20 0.35
HRH1 P35367 1/20 0.35
ALOX15 P16050 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SYK P43405 1/20 0.35
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL365933 0.82
Water SCHEMBL9578432 0.82 MAPT (0.50) SMN1; SMN2ALDH1A1MAPTLIN28ATDP1
Hydrochloric Acid SCHEMBL28196424 0.80 MAPT (0.48) SMN1; SMN2ALDH1A1MAPTLIN28ATDP1
SCHEMBL28220953 0.76 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTLIN28ATDP1
SCHEMBL9710096 0.74 MAPT (0.46) SMN1; SMN2ALDH1A1MAPTLIN28ATDP1
SCHEMBL27880351 0.72 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1TAAR1NPC1RAB9A
Water SCHEMBL27274959 0.72
Methyl Alcohol SCHEMBL3074781 0.70 ALDH1A1 (0.89) SMN1; SMN2ALDH1A1TAAR1ALOX15NPC1
Methyl Alcohol SCHEMBL17592415 0.70
Water SCHEMBL28083716 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496943-A4 OLIGOMERIC COMPOUNDS HAVING MODIFIED PHOSPHATE GROUPS ISIS PHARMACEUTICALS INC (US) 2007-05-23 EP disclosed
EP-1496943-A2 OLIGOMERIC COMPOUNDS HAVING MODIFIED PHOSPHATE GROUPS ISIS PHARMACEUTICALS, INC. (US) 2005-01-19 EP disclosed
EP-1356115-A4 METHODS FOR DETECTION OF CHLORAL HYDRATE IN DICHLOROACETIC ACID ISIS PHARMACEUTICALS INC (US) 2004-06-23 EP disclosed
EP-1356115-A1 METHODS FOR DETECTION OF CHLORAL HYDRATE IN DICHLOROACETIC ACID ISIS PHARMACEUTICALS, INC. (US) 2003-10-29 EP disclosed
WO-2003087115-A2 OLIGOMERIC COMPOUNDS HAVING MODIFIED PHOSPHATE GROUPS ISIS PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed
EP-1311526-A1 PROCESSES FOR THE PREPARATION OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2003-05-21 EP disclosed
WO-2002061138-A1 METHODS FOR DETECTION OF CHLORAL HYDRATE IN DICHLOROACETIC ACID ISIS PHARMACEUTICALS, INC. (US) 2002-08-08 WO disclosed
WO-2002014340-A1 PROCESSES FOR THE PREPARATION OF OLIGONUCLEOTIDES_______________ ISIS PHARMACEUTICALS, INC. (US) 2002-02-21 WO disclosed