SCHEMBL7904967

SCHEMBL7904967

COc1ccc(Cl)cc1Nc1nnc(-c2ccccc2-c2ccc(C(=O)O)cc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PTGER1 P34995 1/20 0.45
POLB P06746 3/20 0.44
MAPT P10636 2/20 0.44
PRNP P04156 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
IGF1R P08069 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42

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 0.92 KDR (0.59) KDRMEN1KMT2APOLBMAPT
SCHEMBL7904971 0.91 KDR (0.58) KDRMEN1KMT2APOLBMAPT
SCHEMBL7913398 0.81 KDR (0.56) KDRMEN1KMT2APOLBMAPT
SCHEMBL7904898 0.81 MAPT (0.59) KDRMEN1KMT2APOLBMAPT
SCHEMBL7918457 0.80 MEN1 (0.60) KDRMEN1KMT2APOLBMAPT
SCHEMBL7914896 0.79 MAPT (0.58) KDRMEN1KMT2APOLBMAPT
SCHEMBL7914954 0.79 MAPT (0.57) KDRMEN1KMT2APOLBMAPT
SCHEMBL7914621 0.78 KDR (0.49) KDRMEN1KMT2APOLBMAPT
SCHEMBL7915131 0.77 SHMT2 (0.46) KDRMEN1KMT2APOLBMAPT
SCHEMBL7905044 0.74 MAPT (0.55) KDRMEN1KMT2APOLBMAPT

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