SCHEMBL7742335

SCHEMBL7742335

COc1cc(Cn2c(=O)[nH]c3cccc(CC(=O)NCc4ccccc4)c32)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MCL1 Q07820 1/20 0.46
RECQL P46063 1/20 0.46
PSMD14 O00487 1/20 0.45
MMP2 P08253 1/20 0.45
PDE2A O00408 1/20 0.45
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 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
SCHEMBL7740742 0.92 KMT2A (0.50) MAPTKMT2AMEN1TP53KDM4E
SCHEMBL7740373 0.89 KMT2A (0.43) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7740065 0.89 MAPT (0.50) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7739420 0.89 MAPT (0.50) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7742329 0.87 ALDH1A1 (0.52) MAPTKMT2AMEN1RAB9ATP53
SCHEMBL7740710 0.83 ALDH1A1 (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7734708 0.83 KMT2A (0.42) MAPTKMT2AMEN1KDM4EPSMD14
SCHEMBL7734611 0.75 POLB (0.40) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7739350 0.75 KDM4E (0.43) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7742336 0.74 LMNA (0.57) MAPTKMT2AMEN1KDM4ESMN1; SMN2

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