SCHEMBL7913383

SCHEMBL7913383

CCCCOc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
ENPP3 O14638 4/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
TP53 P04637 4/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 2/20 0.54
THRB P10828 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.53
KDR P35968 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
TPX2 Q9ULW0 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
SCHEMBL7915153 0.95 MAPT (0.61) MAPTENPP3CA2CA9TP53
SCHEMBL7918523 0.92 MAPT (0.61) MAPTENPP3CA2CA9TP53
SCHEMBL7915171 0.84 NPSR1 (0.61) MAPTENPP3CA2CA9GAA
SCHEMBL7913343 0.83 MAPT (0.67) MAPTENPP3CA2CA9TP53
SCHEMBL3021512 0.83 MAPT (0.81) MAPTENPP3CA9TP53GAA
SCHEMBL7918489 0.82 MAPT (0.59) MAPTENPP3CA2CA9TP53
SCHEMBL7918598 0.81 EGFR (0.47) MAPTENPP3CA2CA9TP53
SCHEMBL7905052 0.81 MAPT (0.58) MAPTENPP3CA2CA9TP53
SCHEMBL7915070 0.80 NPSR1 (0.67) MAPTENPP3CA2CA9GAA
SCHEMBL3028283 0.80 MAPT (0.67) MAPTENPP3CA2CA9TP53

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