SCHEMBL7918550

SCHEMBL7918550

CCCCc1ccc(-c2nnc(Nc3cc(C)ccc3C)c3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.58
MAPT P10636 6/20 0.52
GAA P10253 1/20 0.52
KDR P35968 3/20 0.52
MAPK1 P28482 1/20 0.52
TP53 P04637 4/20 0.49
NPSR1 Q6W5P4 3/20 0.48
GPR174 Q9BXC1 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.47
ENPP3 O14638 3/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL7914895 0.86 THRB (0.57) THRBMAPTGAAKDRMAPK1
SCHEMBL7918619 0.86 THRB (0.69) THRBMAPTGAAKDRMAPK1
SCHEMBL7913341 0.84 NPSR1 (0.67) THRBMAPTGAAKDRTP53
SCHEMBL7904829 0.84 THRB (0.66) THRBMAPTGAAKDRMAPK1
SCHEMBL7912098 0.82 THRB (0.64) THRBMAPTGAAKDRMAPK1
SCHEMBL7918511 0.82 MAPT (0.65) THRBMAPTGAAKDRMAPK1
SCHEMBL7914872 0.82 THRB (0.64) THRBMAPTGAAKDRMAPK1
SCHEMBL7914864 0.80 NPSR1 (0.61) THRBMAPTGAAKDRNPSR1
SCHEMBL7913339 0.80 THRB (0.62) THRBMAPTGAAKDRMAPK1
SCHEMBL12696197 0.78 HSD11B1 (0.57) MAPTTP53NPSR1HPGDALDH1A1

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