SCHEMBL7905052

SCHEMBL7905052

CCCCOc1ccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.58
TP53 P04637 4/20 0.56
KDR P35968 3/20 0.56
CA9 Q16790 2/20 0.54
LMNA P02545 2/20 0.50
ENPP3 O14638 1/20 0.49
CA2 P00918 1/20 0.49
EGFR P00533 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PDE5A O76074 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 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
SCHEMBL7912120 0.87 MAPT (0.59) MAPTTP53KDRCA9LMNA
SCHEMBL7913328 0.86 KDR (0.69) MAPTTP53KDRCA9LMNA
SCHEMBL7915153 0.85 MAPT (0.61) MAPTTP53KDRCA9LMNA
SCHEMBL7913343 0.85 MAPT (0.67) MAPTTP53KDRCA9LMNA
SCHEMBL7905464 0.83 MAPT (0.63) MAPTTP53KDRCA9LMNA
SCHEMBL8014060 0.83 MAPT (0.66) MAPTKDRCA9LMNAENPP3
SCHEMBL7913259 0.82 CA9 (0.63) MAPTTP53KDRCA9LMNA
SCHEMBL7914888 0.81 MAPT (0.64) MAPTTP53KDRCA9LMNA
SCHEMBL7913383 0.81 MAPT (0.61) MAPTTP53KDRCA9LMNA
SCHEMBL7912189 0.80 KDR (0.62) MAPTTP53KDRCA9LMNA

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