SCHEMBL7915149

SCHEMBL7915149

CCCCOc1ccc(-c2nnc(Nc3cc(OC)ccc3OC)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
LMNA P02545 3/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HTT P42858 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ENPP3 O14638 2/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL7914959 0.91 MEN1 (0.50) MAPTLMNATP53ALDH1A1HPGD
SCHEMBL7915141 0.90 MAPT (0.50) MAPTLMNATP53ALDH1A1HPGD
SCHEMBL7904894 0.89 MAPT (0.62) MAPTLMNATP53ALDH1A1HPGD
SCHEMBL7918610 0.87 MEN1 (0.56) MAPTLMNATP53ALDH1A1HPGD
SCHEMBL7904825 0.86 MAPT (0.63) MAPTLMNATP53ALDH1A1HPGD
SCHEMBL7905044 0.85 MAPT (0.55) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL7913390 0.85 MAPT (0.56) MAPTLMNAALDH1A1HPGDKDM4E
SCHEMBL7911801 0.81 SHMT2 (0.59) MAPTLMNATP53ALDH1A1HPGD
SCHEMBL7904898 0.81 MAPT (0.59) MAPTLMNAALDH1A1HPGDKDM4E
SCHEMBL7914896 0.81 MAPT (0.58) MAPTLMNATP53ALDH1A1HPGD

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