SCHEMBL7914959

SCHEMBL7914959

CCCCOc1ccc(-c2nnc(Nc3cc(Cl)ccc3OC)c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 10/20 0.47
TP53 P04637 3/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.45
KDR P35968 1/20 0.45
ENPP3 O14638 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL7915149 0.91 MAPT (0.52) MEN1KMT2AGAAMAPTTP53
SCHEMBL7914896 0.89 MAPT (0.58) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL7913298 0.88 KDR (0.45) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL7913398 0.88 KDR (0.56) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL7905044 0.84 MAPT (0.55) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL7914954 0.84 MAPT (0.57) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL7914621 0.83 KDR (0.49) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL7913343 0.82 MAPT (0.67) GAAMAPTTP53ALDH1A1HPGD
SCHEMBL7915141 0.81 MAPT (0.50) MEN1KMT2AGAAMAPTTP53
SCHEMBL7918457 0.80 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1HPGD

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