SCHEMBL7913339

SCHEMBL7913339

COc1ccc(-c2nnc(Nc3cc(C)ccc3C)c3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.62
MAPT P10636 8/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 3/20 0.58
GAA P10253 1/20 0.56
KDR P35968 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ENPP3 O14638 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GPR174 Q9BXC1 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL7918619 0.90 THRB (0.69) THRBMAPTTP53GAAKDR
SCHEMBL7913358 0.89 THRB (0.49) THRBMAPTLMNATP53GAA
SCHEMBL7904829 0.87 THRB (0.66) THRBMAPTTP53GAAKDR
SCHEMBL7914895 0.85 THRB (0.57) THRBMAPTLMNATP53GAA
SCHEMBL7914872 0.85 THRB (0.64) THRBMAPTTP53GAAKDR
SCHEMBL7918511 0.85 MAPT (0.65) THRBMAPTLMNATP53GAA
SCHEMBL7912098 0.85 THRB (0.64) THRBMAPTTP53GAAKDR
SCHEMBL7904825 0.82 MAPT (0.63) THRBMAPTLMNATP53GAA
SCHEMBL7918667 0.81 KDR (0.68) THRBMAPTTP53GAAKDR
SCHEMBL7912149 0.81 THRB (0.50) THRBMAPTLMNATP53GAA

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