SCHEMBL7740310

SCHEMBL7740310

O=C(O)Cc1cccc2[nH]c(=O)n(Cc3ccccc3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.42
MAPK10 P53779 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7742329 0.86 ALDH1A1 (0.52) HPGDKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL7734712 0.84 ALDH1A1 (0.47) HPGDKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL7740373 0.83 KMT2A (0.43) KDM4EALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL31711485 0.77 ALDH1A1 (0.56) HPGDKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL25718794 0.77 ALDH1A1 (0.56) HPGDKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL23997191 0.77 ALDH1A1 (0.56) HPGDKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL23997320 0.76 LMNA (0.69) HPGDKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL30336888 0.76 LMNA (0.69) HPGDKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL23997318 0.74 LMNA (0.58) HPGDKDM4EALDH1A1SMN1; SMN2GRIN2D
SCHEMBL30336892 0.74 LMNA (0.58) HPGDKDM4EALDH1A1SMN1; SMN2GRIN2D

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