SCHEMBL7740995

SCHEMBL7740995

COc1ccc(C(N)c2cc(OC)c(OC)c(OC)c2)c(N)c1.COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.61
ABCC1 P33527 6/20 0.61
MAPK1 P28482 2/20 0.56
MAPT P10636 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL7917543 0.86 ABCB1 (0.79) ABCB1ABCC1MAPK1MAPTNPC1
SCHEMBL8010707 0.76 ABCB1 (0.77) ABCB1ABCC1MAPK1MEN1KMT2A
SCHEMBL7919608 0.75 ABCB1 (0.78) ABCB1ABCC1MAPK1MEN1KMT2A
SCHEMBL20356916 0.74 ABCB1 (0.79) ABCB1ABCC1MAPK1MAPTNPC1
SCHEMBL29375530 0.72 NPC1 (0.73) ABCB1ABCC1MAPK1MAPTNPC1
SCHEMBL16179942 0.72 ABCC1 (1.00) ABCB1ABCC1
SCHEMBL6705974 0.71 NPC1 (0.70) ABCB1ABCC1MAPK1MAPTNPC1
SCHEMBL6707064 0.70 MAPT (0.77) ABCB1ABCC1MAPK1MAPTNPC1
SCHEMBL16179746 0.70 ABCB1 (1.00) ABCB1ABCC1NPC1RAB9ASMN1; SMN2
SCHEMBL7245174 0.69 NPC1 (0.76) ABCB1ABCC1MAPK1MAPTNPC1

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