SCHEMBL7913328

SCHEMBL7913328

COc1ccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.69
MAPT P10636 8/20 0.61
LMNA P02545 2/20 0.61
CA9 Q16790 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ENPP3 O14638 1/20 0.56
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TP53 P04637 2/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL7913364 0.89 KDR (0.58) KDRMAPTLMNACA9TP53
SCHEMBL7905464 0.87 MAPT (0.63) KDRMAPTLMNACA9KMT2A
SCHEMBL8014060 0.87 MAPT (0.66) KDRMAPTLMNACA9ENPP3
SCHEMBL7905052 0.86 MAPT (0.58) KDRMAPTLMNACA9ENPP3
SCHEMBL7913259 0.86 CA9 (0.63) KDRMAPTLMNACA9ENPP3
SCHEMBL788243 0.85 KDR (0.66) KDRMAPTLMNACA9MEN1
SCHEMBL7913375 0.85 KDR (0.62) KDRMAPTLMNACA9TP53
SCHEMBL7914888 0.85 MAPT (0.64) KDRMAPTLMNACA9ENPP3
SCHEMBL7918628 0.83 MAPT (0.81) KDRMAPTLMNAMEN1KMT2A
SCHEMBL7918387 0.83 MAPT (0.75) KDRMAPTLMNAMEN1KMT2A

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