SCHEMBL7213309

SCHEMBL7213309

Cc1cccc(-c2c(C)c(=O)[nH]c(=S)n2COCCO)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.36
TYMP P19971 1/20 0.35
HPGD P15428 3/20 0.35
ALOX12 P18054 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
UPP1 Q16831 1/20 0.34
DPP4 P27487 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
SCHEMBL30610974 1.00 KDM4E (0.40) KDM4ELMNAALDH1A1TYMPHPGD
SCHEMBL29184178 0.89 UPP1 (0.42) ALDH1A1UPP1
SCHEMBL5572945 0.89 UPP1 (0.41) ALDH1A1GAAMAPTUPP1
SCHEMBL7213452 0.76 ALDH1A1 (0.37) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL8760250 0.76 SIRT2 (0.47) ALDH1A1UPP1
SCHEMBL9357439 0.76 UPP1 (0.38) ALDH1A1GAAMAPTUPP1
SCHEMBL9353989 0.75 UPP1 (0.42) ALDH1A1HPGDGAAMAPTUPP1
SCHEMBL8430464 0.75 ALDH1A1 (0.36) KDM4EALDH1A1TYMPHPGDALOX12
SCHEMBL8430467 0.75 ALDH1A1 (0.34) KDM4ELMNAALDH1A1HPGDALOX12
SCHEMBL7219922 0.75 ALDH1A1 (0.46) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551089-A Estrogen receptor proteolytic modulators and related methods of use 阿尔维纳斯运营股份有限公司 2024-02-13 CN disclosed
CN-110612297-B Estrogen receptor proteolytic modulators and related methods of use 阿尔维纳斯运营股份有限公司 2023-10-20 CN disclosed
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