SCHEMBL7739342

SCHEMBL7739342

COc1ccc2c(c1)[nH]c(=O)n2Cc1cc(OC)c(OC)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
FYN P06241 1/20 0.46
EPHX2 P34913 2/20 0.46
PPARG P37231 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 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
SCHEMBL7734550 0.86 GRIN1 (0.50) KDM4EKMT2AMEN1MAPTEPHX2
SCHEMBL7742336 0.85 LMNA (0.57) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL14376795 0.75 SMN1; SMN2 (0.58) KMT2AMEN1MAPTEPHX2PPARG
SCHEMBL8125879 0.74 KMO (0.55) KDM4EKMT2AMEN1ALDH1A1EPHX2
SCHEMBL25274814 0.74 CCR2 (0.58) KMT2AHSD17B10HTTGRIN1GRIN2B
SCHEMBL7739350 0.74 KDM4E (0.43) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL21384939 0.73 GRIN1 (0.61) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL9725445 0.73 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL9725523 0.72 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5243970 0.71 PGR (0.57) KDM4EKMT2AMEN1ALDH1A1MAPT

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