SCHEMBL28022554

SCHEMBL28022554

O=C(O)c1cccc(Cl)c1OCl.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 3/20 0.52
PBRM1 Q86U86 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.42
MT-CO2 P00403 1/20 0.42
TTR P02766 1/20 0.42
PLA2G1B P04054 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL73044 0.98 TSHR (0.59) TSHRALDH1A1KMT2APBRM1KDM4E
SCHEMBL28079050 0.96 TSHR (0.57) TSHRALDH1A1KMT2APBRM1KDM4E
Boric Acid SCHEMBL25170761 0.93 TSHR (0.53) TSHRALDH1A1KMT2APBRM1KDM4E
Lithium Ion SCHEMBL28618141 0.88 TSHR (0.49) TSHRALDH1A1KMT2APBRM1KDM4E
SCHEMBL28102712 0.83 TSHR (0.55) TSHRALDH1A1KMT2APBRM1KDM4E
SCHEMBL28715623 0.83 KMT2A (0.44) TSHRALDH1A1KMT2APBRM1KDM4E
SCHEMBL1680473 0.82 TSHR (0.59) TSHRALDH1A1KMT2APBRM1KDM4E
SCHEMBL11735279 0.81 KMT2A (0.47) TSHRALDH1A1KMT2APBRM1KDM4E
SCHEMBL30410031 0.81 TSHR (0.57) TSHRALDH1A1KMT2APBRM1KDM4E
SCHEMBL477714 0.81 TSHR (0.57) TSHRALDH1A1KMT2APBRM1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106659162-A 3, 6-dichlorosalicylic acid compounds and related synthetic methods 孟山都技术公司 2017-05-10 CN disclosed
CN-105399114-A Preparation method of non-agglomerated potassium carbonate ultra-fine powder ZHEJIANG DAYANG BIOTECH GROUP CO LTD 2016-03-16 CN disclosed
CN-102942474-B Synthetic process of herbicide dicamba JIANGSU YANGNONG CHEMICAL CO 2015-07-08 CN disclosed