SCHEMBL7224645

SCHEMBL7224645

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

nearest known ligand 0.88

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.88
APEX1 P27695 1/20 0.70
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
TSHR P16473 2/20 0.58
KDM4E B2RXH2 5/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50

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
SCHEMBL7734714 0.87 ALDH1A1 (0.81) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL17772674 0.85 ALDH1A1 (0.82) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL11808900 0.83 APEX1 (1.00) ALDH1A1APEX1MEN1KMT2AKDM4E
SCHEMBL5329443 0.82 APEX1 (0.82) ALDH1A1APEX1MEN1KMT2AKDM4E
SCHEMBL11253338 0.82 ALDH1A1 (0.76) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL11258740 0.81 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL10487900 0.79 MEN1 (0.72) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL11263773 0.79 MEN1 (0.72) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL5324208 0.78 ALDH1A1 (0.67) ALDH1A1APEX1MEN1KMT2ATSHR
SCHEMBL11514777 0.78 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506738-B1 Treatment of viral infections. More particularly, the invention provides benzimidazolone derivatives for the treatment of respiratory syncytial virus infection. BRISTOL-MYERS SQUIBB COMPANY 2003-01-14 US disclosed
WO-2002026228-A1 BENZIMIDAZOLONE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-04 WO disclosed