SCHEMBL7778456

SCHEMBL7778456

C(=Cc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.46
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE5A O76074 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH3 Q9ULD8 2/20 0.40
RHOA P61586 1/20 0.39
IDH2 P48735 1/20 0.39
NFKB1 P19838 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL5519902 0.86 CA12 (0.41) RHOACA12CA1CA2CA9
SCHEMBL4623931 0.84 LMNA (0.60) MAPTMEN1KMT2AGAAHTT
SCHEMBL10336751 0.82 PLAU (0.47) KMT2AKDM4E
SCHEMBL8436316 0.80 PLAU (0.40) MEN1KMT2AKDM4EDHFR
SCHEMBL14759757 0.79 CA12 (0.42) DDX3XMAPTMEN1KMT2AGAA
SCHEMBL7632003 0.77 CA12 (0.40) DDX3XMAPTMEN1KMT2AGAA
SCHEMBL28412986 0.76 MAPT (0.59) DDX3XMAPTMEN1KMT2AGAA
SCHEMBL5141674 0.75 NPC1 (0.47) MAPTGAASIRT2
SCHEMBL29886003 0.74 MAPT (0.57) DDX3XMAPTMEN1KMT2AGAA
SCHEMBL2498783 0.74 SIRT2 (0.50) MAPTMEN1KMT2AGAAMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652925-B1 DETERGENT BLEACH COMPOSITIONS CONTAINING LAYERED SILICATE BUILDER AND PERCARBONATE STABILIZED BY EDDS PROCTER & GAMBLE (US) 2001-09-12 EP disclosed
EP-0652933-B1 DETERGENT COMPOSITIONS PROCTER & GAMBLE (US) 1999-09-15 EP disclosed