SCHEMBL7913404

SCHEMBL7913404

COc1ccc(-c2nnc(Nc3cc(OC)ccc3OC)c3cc(C)c(C)cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
USP2 O75604 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.46
TP53 P04637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SHMT2 P34897 1/20 0.43
CSNK2A1 P68400 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7918649 0.95 MAPT (0.54) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7918641 0.91 MAPT (0.45) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7913378 0.89 MAPT (0.55) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7904894 0.86 MAPT (0.62) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7904825 0.83 MAPT (0.63) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7913358 0.83 THRB (0.49) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7918610 0.81 MEN1 (0.56) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7913390 0.80 MAPT (0.56) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7905044 0.80 MAPT (0.55) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7914883 0.80 MAPT (0.62) MAPTMEN1KMT2ALMNAUSP2

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-6207666-B1 TREATING PRECANCEROUS LESIONS BY ADMINISTERING 4-PHENYLPHTHALAZINE DERIVATIVE CELL PATHWAYS, INC. 2001-03-27 US disclosed