SCHEMBL28958588

SCHEMBL28958588

C#Cc1ccccc1S(=O)(=O)O.NC#Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.47
CA2 P00918 6/20 0.47
CA9 Q16790 6/20 0.47
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MTOR P42345 1/20 0.39
CA1 P00915 3/20 0.37
PTGES O14684 1/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL30125526 0.83 MYC (0.40) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL1920956 0.83 MYC (0.40) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL28958546 0.82 MYC (0.39) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL11160296 0.79 CA12 (0.68) CA12CA2CA9NPC1RAB9A
Sulfuric Acid SCHEMBL28417211 0.78 NPC1 (0.54) CA12CA2CA9NPC1RAB9A
SCHEMBL28161246 0.72 CA12 (0.52) CA12CA2CA9NPC1RAB9A
SCHEMBL157541 0.70
SCHEMBL2468180 0.69 CA2 (0.58) CA12CA2CA9CA1CYP2C9
SCHEMBL2746462 0.69 CA12 (0.46) CA12CA2CA9NPC1RAB9A
Methyl Alcohol SCHEMBL7918463 0.68 APP (0.55) CA12CA2CA9NPC1RAB9A

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-115589736-A Perovskite composite layer and solar cell 嘉庚创新实验室 2023-01-10 CN disclosed