SCHEMBL7213302

SCHEMBL7213302

COCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 8/20 0.40
HPGD P15428 6/20 0.40
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 5/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PSMD14 O00487 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7015162 0.86 ALDH1A1 (0.58) MAPK1NPSR1TSHRALDH1A1HPGD
Hept SCHEMBL384288 0.84 UPP1 (0.48) MAPK1NPSR1TSHRALDH1A1HPGD
SCHEMBL7219920 0.83 ALDH1A1 (0.52) MAPK1NPSR1TSHRALDH1A1HPGD
SCHEMBL7218800 0.82 ALDH1A1 (0.38) MAPK1NPSR1TSHRALDH1A1HPGD
SCHEMBL7260700 0.82 ALDH1A1 (0.36) MAPK1NPSR1TSHRALDH1A1HPGD
SCHEMBL7260701 0.82 LMNA (0.37) MAPK1NPSR1TSHRALDH1A1HPGD
SCHEMBL9357368 0.81 ALDH1A1 (0.35) MAPK1NPSR1TSHRALDH1A1HPGD
SCHEMBL7219572 0.80 ALDH1A1 (0.39) MAPK1NPSR1TSHRALDH1A1HPGD
SCHEMBL7215341 0.78 ALDH1A1 (0.44) MAPK1NPSR1TSHRALDH1A1HPGD
SCHEMBL8770174 0.78 UPP1 (0.42) MAPK1NPSR1TSHRALDH1A1HPGD

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
US-RE37979-E1 Pyrimidine derivatives and anti-viral agent containing the same as active ingredient thereof MITSUBISHI CHEMICAL CORPORATION 2003-02-04 US disclosed
EP-0829476-B1 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof MITSUBISHI CHEM CORP (JP) 2002-08-28 EP disclosed
EP-0829476-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1998-03-18 EP disclosed
US-5461060-A Antiretroviral activity MITSUBISHI KASEI CORPORATION (JP) 1995-10-24 US disclosed
EP-0420763-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1991-04-03 EP disclosed