SCHEMBL7734708

SCHEMBL7734708

COc1cc(Cn2c(=O)[nH]c3cccc(CCC(=O)O)c32)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PSMD14 O00487 1/20 0.41
MMP2 P08253 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTK2 Q05397 1/20 0.41
FYN P06241 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL7740373 0.90 KMT2A (0.43) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7740742 0.89 KMT2A (0.50) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7742335 0.83 MAPT (0.52) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7740710 0.82 ALDH1A1 (0.45) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7734611 0.77 POLB (0.40) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7739350 0.77 KDM4E (0.43) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7742336 0.74 LMNA (0.57) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL7740065 0.74 MAPT (0.50) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7739420 0.74 MAPT (0.50) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7734767 0.72 KDM4E (0.40) KMT2AMEN1MAPTKDM4EALDH1A1

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-6420410-B1 ADMINISTERING N,N'-SUBSTITUTED BENZIMIDAZOL-2-ONES TO INDUCE APOPTOSIS IN NEOPLASTIC CELLS BUT NOT NORMAL CELLS; ANTICANCER, ANTITUMOR AGENT CELL PATHWAYS, INC. 2002-07-16 US disclosed