SCHEMBL19752005

SCHEMBL19752005

OCc1cccc(NCCc2ccccn2)n1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.70
CYP1A2 P05177 2/20 0.69
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALOX15 P16050 1/20 0.49
MKNK1 Q9BUB5 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C19 P33261 1/20 0.44
PIM1 P11309 1/20 0.44
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PGK1 P00558 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL19751933 0.88 CYP1A2 (0.84) APPCYP1A2HRH3LMNAALDH1A1
SCHEMBL12705205 0.82 APP (1.00) APPCYP1A2HRH3LMNAALDH1A1
SCHEMBL12705055 0.82 APP (1.00) APPCYP1A2HRH3LMNAALDH1A1
SCHEMBL27513658 0.82 CYP1A2 (1.00) APPCYP1A2HRH3LMNAALDH1A1
SCHEMBL6091943 0.82 CYP1A2 (0.69) APPCYP1A2HRH3LMNAALDH1A1
SCHEMBL12705295 0.82 APP (0.94) APPCYP1A2HRH3LMNAALDH1A1
SCHEMBL12710492 0.82 CYP1A2 (0.69) APPCYP1A2HRH3LMNAALDH1A1
SCHEMBL12705207 0.82 CYP1A2 (0.69) APPCYP1A2HRH3LMNAALDH1A1
SCHEMBL20917627 0.81 APP (0.47) APPCYP1A2LMNAALDH1A1NPC1
SCHEMBL30831190 0.81 APP (0.47) APPCYP1A2LMNAALDH1A1NPC1

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-2488513-B1 2,6-Diaminopyridine compounds for treating diseases associated with amyloid proteins or for treating ocular diseases AC IMMUNE SA (CH) 2017-12-27 EP disclosed