SCHEMBL6482628

SCHEMBL6482628

Nc1ncc(Oc2ccc(Cl)cc2Cl)c(Nc2ccc(O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.44
AURKA O14965 1/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
TTR P02766 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HSPA5 P11021 1/20 0.43
CBR1 P16152 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
AGTR1 P30556 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
STK39 Q9UEW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6474741 0.89 SCN5A (0.42) BCL6AURKAMAPTNR1I2SLC6A2
SCHEMBL6474012 0.86 BCL6 (0.52) BCL6AURKAMAPTLMNAGAA
SCHEMBL5204622 0.84 SCN9A (0.51) BCL6AURKAADORA3SLC6A2KCNH2
Hydrochloric Acid SCHEMBL5203439 0.83 SCN9A (0.50) BCL6AURKAADORA3SLC6A2KCNH2
SCHEMBL5203455 0.78 TTR (0.40) BCL6MAPTHPGDTTRNR1I2
SCHEMBL6474471 0.77 BCL6 (0.49) BCL6AURKAMAPTLMNAGAA
SCHEMBL5204470 0.76 MEN1 (0.42) BCL6MAPTLMNAALDH1A1POLB
SCHEMBL5204374 0.76 SCN9A (0.44) BCL6MAPTKCNH2SCN9ASCN5A
SCHEMBL6474559 0.76 GAA (0.43) MAPTHPGDLMNASLC6A2SLC6A3
SCHEMBL6480285 0.75 AURKA (0.53) AURKAMAPTLMNAALDH1A1

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-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US claimed