SCHEMBL28322905

SCHEMBL28322905

O=S(=O)(O)c1cccc2cc[nH]c12.[KH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.51
▸ PGR P06401 1/20 0.51
▸ NR3C2 P08235 1/20 0.51
▸ AR P10275 1/20 0.51
▸ KEAP1 Q14145 1/20 0.49
▸ PDPK1 O15530 1/20 0.47
▸ AHR P35869 1/20 0.46
▸ ACLY P53396 1/20 0.43
▸ BACE1 P56817 1/20 0.41
▸ BCHE P06276 4/20 0.41
▸ GRM5 P41594 1/20 0.39
▸ TTR P02766 2/20 0.38
▸ FABP4 P15090 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ NR4A1 P22736 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36

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
SCHEMBL3789155 0.98 NR3C1 (0.53) NR3C1PGRNR3C2ARKEAP1
Hydrochloric Acid SCHEMBL27765603 0.96 NR3C1 (0.51) NR3C1PGRNR3C2ARKEAP1
SCHEMBL1018276 0.79 AR (0.53) NR3C1PGRNR3C2ARKEAP1
SCHEMBL593678 0.79 NR3C1 (0.62) NR3C1PGRNR3C2ARKEAP1
SCHEMBL30136569 0.79 NR3C1 (0.53) NR3C1PGRNR3C2ARKEAP1
SCHEMBL30136554 0.79 AR (0.53) NR3C1PGRNR3C2ARKEAP1
Hydrochloric Acid SCHEMBL26614912 0.78 AR (0.51) NR3C1PGRNR3C2ARKEAP1
Sulfuric Acid SCHEMBL23540701 0.76 KEAP1 (0.50) NR3C1PGRNR3C2ARKEAP1
SCHEMBL3792302 0.75 NR3C1 (0.53) NR3C1PGRNR3C2ARKEAP1
SCHEMBL4485961 0.75 NR3C1 (0.57) NR3C1PGRNR3C2ARKEAP1

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
CN-110352036-A Polymerizable near infrared dyes 普罗菲尤萨股份有限公司 2019-10-18 — — CN disclosed
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