SCHEMBL8088883

SCHEMBL8088883

CC(=O)Oc1cccc2c1C(=O)N(I)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
ADORA3 P0DMS8 3/20 0.47
ADORA2A P29274 3/20 0.47
TTR P02766 2/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
HTR2A P28223 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
ADORA1 P30542 2/20 0.47
MEN1 O00255 1/20 0.47
ABCC4 O15439 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CHRM2 P08172 1/20 0.47
HSP90AB1 P08238 1/20 0.47
HTR1A P08908 1/20 0.47

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
SCHEMBL8088807 0.83 KMT2A (0.47) KDM4EALDH1A1ADORA3ADORA2ATTR
SCHEMBL8088857 0.81 KDM4E (0.47) KDM4EALDH1A1ADORA3ADORA2ATTR
SCHEMBL8092000 0.79 KDM4E (0.45) KDM4EALDH1A1ADORA3ADORA2ATTR
SCHEMBL5613348 0.75 ALDH1A1 (0.73) KDM4EALDH1A1ADORA3ADORA2ATTR
SCHEMBL27512237 0.73 KDM4E (0.52) KDM4EALDH1A1ADORA3ADORA2ATTR
SCHEMBL1287104 0.72 TOP1 (0.65) KDM4EALDH1A1ADORA3ADORA2ATTR
SCHEMBL11101186 0.72 TTR (0.72) KDM4EALDH1A1ADORA3ADORA2ATTR
SCHEMBL2176042 0.72 KDM4E (0.50) KDM4EALDH1A1ADORA3ADORA2ATTR
SCHEMBL6634972 0.71 KDM4E (0.54) KDM4EALDH1A1ADORA3ADORA2ATTR
SCHEMBL9414311 0.70 TDP1 (0.58) KDM4EALDH1A1MAPK1MAPTKMT2A

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-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US claimed
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US disclosed