SCHEMBL7734586

SCHEMBL7734586

CCOC(=O)Cc1cc(F)cc2[nH]c(=O)n(Cc3cc(OC)c(OC)c(OC)c3)c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 2/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
TLR7 Q9NYK1 2/20 0.39
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7739561 0.90 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL7734611 0.88 POLB (0.40) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL7734767 0.87 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL7740710 0.86 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL7739420 0.82 MAPT (0.50) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL7739350 0.78 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL7740723 0.77 MEN1 (0.36) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL7740373 0.73 KMT2A (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL7740065 0.72 MAPT (0.50) ALDH1A1KDM4ESMN1; SMN2HTTKMT2A
SCHEMBL7734550 0.72 GRIN1 (0.50) KDM4ERXFP1KMT2AMEN1MAPT

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