SCHEMBL7734712

SCHEMBL7734712

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.46
P2RX7 Q99572 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TLR7 Q9NYK1 2/20 0.43
HSD17B10 Q99714 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
SCHEMBL7740710 0.85 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL7740310 0.84 HPGD (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2PKM
SCHEMBL23997319 0.79 LMNA (0.60) ALDH1A1KDM4ELMNATSHRMEN1
SCHEMBL7742329 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2P2RX7
SCHEMBL30345078 0.79 LMNA (0.60) ALDH1A1KDM4ELMNATSHRMEN1
SCHEMBL7740373 0.73 KMT2A (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL7742335 0.72 MAPT (0.52) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2311046 0.71 DAO (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL13332558 0.70 CYP1A2 (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2ADORA3
SCHEMBL31711485 0.70 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA

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