SCHEMBL11486274

SCHEMBL11486274

Brc1ccc(-c2ccc3nncn3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.58
DNMT1 P26358 1/20 0.53
ALDH1A1 P00352 3/20 0.47
MAPK14 Q16539 1/20 0.46
TGFBR1 P36897 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
APP P05067 2/20 0.40
PAX8 Q06710 1/20 0.40
AHR P35869 4/20 0.39
PIK3CA P42336 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
DYRK1A Q13627 1/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1A3 P47895 1/20 0.36
MAPK1 P28482 1/20 0.35
MLLT1 Q03111 2/20 0.35
DGAT1 O75907 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
SCHEMBL252922 0.84 PIK3CG (0.47) SCN5ADNMT1ALDH1A1MAPK14TGFBR1
SCHEMBL11379662 0.83 SCN5A (0.59) SCN5ADNMT1ALDH1A1MAPK14TGFBR1
SCHEMBL11474506 0.81 SCN5A (0.58) SCN5ADNMT1ALDH1A1MAPK14TGFBR1
SCHEMBL11384331 0.81 MAPK14 (0.64) SCN5ADNMT1ALDH1A1MAPK14TGFBR1
SCHEMBL11476887 0.81 SCN5A (0.58) SCN5ADNMT1ALDH1A1MAPK14TGFBR1
SCHEMBL11475951 0.77 SCN5A (0.57) SCN5ADNMT1MAPK14TGFBR1NPC1
SCHEMBL11491065 0.77 SCN5A (0.66) SCN5ADNMT1MAPK14NPC1RAB9A
SCHEMBL11383420 0.75 SCN5A (0.51) SCN5ADNMT1ALDH1A1MAPK14NPC1
SCHEMBL937590 0.75 SCN5A (0.62) SCN5ADNMT1ALDH1A1MAPK14TGFBR1
SCHEMBL936850 0.74 SCN5A (1.00) SCN5ADNMT1ALDH1A1MAPK14TGFBR1

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
US-4209626-A Substituted 6-phenyl-1,2,4-triazolo[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-06-24 US disclosed