SCHEMBL6474471

SCHEMBL6474471

Nc1ncc(Oc2ccccc2)c(Nc2ccc(O)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.49
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
LTA4H P09960 1/20 0.40
NR1H2 P55055 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
SCHEMBL5204622 0.87 SCN9A (0.51) BCL6SCN5ASCN9ATTBK1TTBK2
SCHEMBL6472908 0.87 TTBK1 (0.43) BCL6MAPTMEN1KMT2AALDH1A1
SCHEMBL6480285 0.87 AURKA (0.53) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6481407 0.87 AURKA (0.47) BCL6MAPTMEN1GAAKMT2A
SCHEMBL6480339 0.84 MAPT (0.44) MAPTMEN1GAAKMT2AALDH1A1
SCHEMBL6474012 0.84 BCL6 (0.52) BCL6MAPTMEN1GAAKMT2A
SCHEMBL6473796 0.81 MAPT (0.51) MAPTMEN1GAAKMT2AALDH1A1
SCHEMBL6482639 0.81 AURKA (0.41) MAPTMEN1GAAKMT2AALDH1A1
SCHEMBL6482628 0.77 BCL6 (0.44) BCL6MAPTGAAALDH1A1LMNA
SCHEMBL5204374 0.73 SCN9A (0.44) BCL6MAPTMEN1KMT2ASCN5A

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