SCHEMBL21753717

SCHEMBL21753717

O=C([O-])c1ccccc1OCl.O=C([O-])c1ccccc1OCl.[Mg+2]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
HPGD P15428 5/20 0.47
ALDH1A1 P00352 5/20 0.47
CTNNB1 P35222 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
PARP1 P09874 1/20 0.38
HSD17B10 Q99714 4/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
TSHR P16473 1/20 0.37
GGT1 P19440 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
BLM P54132 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL28700760 0.83 LMNA (0.37) KDM4EHPGDALDH1A1IRAK4HTT
SCHEMBL7671145 0.81 CTNNB1 (0.60) KDM4EHPGDALDH1A1CTNNB1IRAK4
SCHEMBL372308 0.78 ALDH1A1 (0.59) KDM4EHPGDALDH1A1HTTTP53
Silver SCHEMBL30782444 0.77 KDM4E (0.48) KDM4EHPGDALDH1A1CTNNB1IRAK4
Potassium Ion SCHEMBL5157519 0.77 CTNNB1 (0.50) KDM4EHPGDALDH1A1CTNNB1IRAK4
SCHEMBL11583022 0.77 CTNNB1 (0.50) KDM4EHPGDALDH1A1CTNNB1IRAK4
SCHEMBL28730236 0.77 CTNNB1 (0.50) KDM4EHPGDALDH1A1CTNNB1IRAK4
SCHEMBL21753718 0.77 KDM4E (0.57) KDM4EHPGDALDH1A1HTTTP53
SCHEMBL18340670 0.77 KDM4E (0.54) KDM4EHPGDALDH1A1CTNNB1IRAK4
SCHEMBL5667057 0.77 HSD17B10 (0.42) KDM4EHPGDALDH1A1CTNNB1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020039963-A1 MOISTURE DETECTION METHOD AND MOISTURE DETECTION SYSTEM 株式会社MORESCO 2020-02-27 WO disclosed