SCHEMBL7734714

SCHEMBL7734714

CCOC(=O)Cn1c(=O)n(Cc2ccccc2)c2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.81
TSHR P16473 1/20 0.72
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
GAA P10253 2/20 0.59
TP53 P04637 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 3/20 0.55
ADORA3 P0DMS8 1/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GLA P06280 1/20 0.53

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
SCHEMBL11253338 0.92 ALDH1A1 (0.76) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL11258740 0.91 ALDH1A1 (0.74) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL11263917 0.90 ALDH1A1 (0.64) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL10487900 0.89 MEN1 (0.72) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL11263773 0.89 MEN1 (0.72) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL7224645 0.87 ALDH1A1 (0.88) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL11262526 0.86 LMNA (0.73) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL11260065 0.85 ALDH1A1 (0.69) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL10831250 0.84 TNF (0.60) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL7740712 0.83 ALDH1A1 (0.66) ALDH1A1TSHRMEN1KMT2AGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213288-B1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2009-01-14 EP disclosed
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
EP-0019440-B1 BENZIMIDAZOLONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1982-09-29 EP disclosed
EP-0019440-A1 Benzimidazolone derivatives, process for their preparation and pharmaceutical compositions containing them PFIZER INC. (US) 1980-11-26 EP disclosed
US-4209527-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1980-06-24 US disclosed