SCHEMBL7914895

SCHEMBL7914895

CCCCOc1ccc(-c2nnc(Nc3cc(C)ccc3C)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.57
MAPK1 P28482 1/20 0.53
MAPT P10636 10/20 0.53
TP53 P04637 7/20 0.53
GAA P10253 2/20 0.51
KDR P35968 1/20 0.51
ENPP3 O14638 2/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
GPR174 Q9BXC1 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL7918550 0.86 THRB (0.58) THRBMAPK1MAPTTP53GAA
SCHEMBL7913339 0.85 THRB (0.62) THRBMAPK1MAPTTP53GAA
SCHEMBL7918619 0.85 THRB (0.69) THRBMAPK1MAPTTP53GAA
SCHEMBL7918523 0.84 MAPT (0.61) THRBMAPTTP53GAAKDR
SCHEMBL7904829 0.83 THRB (0.66) THRBMAPK1MAPTTP53GAA
SCHEMBL7912098 0.81 THRB (0.64) THRBMAPK1MAPTTP53GAA
SCHEMBL7918511 0.81 MAPT (0.65) THRBMAPK1MAPTTP53GAA
SCHEMBL7914872 0.81 THRB (0.64) THRBMAPK1MAPTTP53GAA
SCHEMBL7915153 0.81 MAPT (0.61) THRBMAPTTP53GAAKDR
SCHEMBL7915149 0.80 MAPT (0.52) THRBMAPK1MAPTTP53GAA

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