SCHEMBL7914872

SCHEMBL7914872

Cc1ccc(C)c(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.64
MAPT P10636 6/20 0.58
GAA P10253 1/20 0.58
KDR P35968 3/20 0.57
ENPP3 O14638 3/20 0.56
ALDH1A1 P00352 1/20 0.53
GPR174 Q9BXC1 1/20 0.53
TP53 P04637 5/20 0.52
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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 0.92 THRB (0.69) THRBMAPTGAAKDRENPP3
SCHEMBL7904829 0.90 THRB (0.66) THRBMAPTGAAKDRENPP3
SCHEMBL7918511 0.88 MAPT (0.65) THRBMAPTGAAKDRENPP3
SCHEMBL7912098 0.88 THRB (0.64) THRBMAPTGAAKDRENPP3
SCHEMBL7913339 0.85 THRB (0.62) THRBMAPTGAAKDRENPP3
SCHEMBL7918667 0.83 KDR (0.68) THRBMAPTGAAKDRENPP3
SCHEMBL7918550 0.82 THRB (0.58) THRBMAPTGAAKDRENPP3
SCHEMBL7914895 0.81 THRB (0.57) THRBMAPTGAAKDRENPP3
SCHEMBL7904610 0.80 THRB (0.55) THRBMAPTGAAKDRENPP3
SCHEMBL7913372 0.79 KDR (0.72) THRBMAPTGAAKDRENPP3

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