SCHEMBL7904971

SCHEMBL7904971

COc1ccc(Cl)cc1Nc1nnc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.58
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
PRNP P04156 1/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GFER P55789 1/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PDE5A O76074 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 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
SCHEMBL7904812 0.99 KDR (0.59) KDRMAPTPOLBPRNPRECQL
SCHEMBL7904967 0.91 KDR (0.50) KDRMAPTPOLBPRNPRECQL
SCHEMBL7913398 0.88 KDR (0.56) KDRMAPTPOLBPRNPRECQL
SCHEMBL7904898 0.88 MAPT (0.59) KDRMAPTPOLBPRNPRECQL
SCHEMBL7918457 0.87 MEN1 (0.60) KDRMAPTPOLBPRNPRECQL
SCHEMBL7914896 0.85 MAPT (0.58) KDRMAPTPOLBPRNPRECQL
SCHEMBL7914954 0.85 MAPT (0.57) KDRMAPTPOLBPRNPRECQL
SCHEMBL7914621 0.84 KDR (0.49) KDRMAPTPOLBPRNPRECQL
SCHEMBL7905044 0.81 MAPT (0.55) KDRMAPTPOLBPRNPRECQL
SCHEMBL7912202 0.81 FLT1 (0.49) KDRMAPTPOLBMEN1KMT2A

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