SCHEMBL8909837

SCHEMBL8909837

COc1ccccc1Cl.O=S(=O)(O)[n+]1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.45
BCHE P06276 3/20 0.45
NFE2L2 Q16236 5/20 0.41
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTR6 P50406 1/20 0.39
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
PTGS2 P35354 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FABP4 P15090 1/20 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
SCHEMBL27758061 0.80 NFE2L2 (0.47) NFE2L2KCNH2L3MBTL1HTR6CYP1A2
SCHEMBL3904409 0.77 NFE2L2 (0.51) NFE2L2KCNH2L3MBTL1HTR6CYP1A2
Chlorobenzene SCHEMBL7713717 0.75 CA1 (0.52) NFE2L2KCNH2L3MBTL1CYP1A2CYP2C19
SCHEMBL12541 0.75
SCHEMBL28061440 0.75 CA1 (0.63) NFE2L2KCNH2L3MBTL1CYP1A2CYP2C19
SCHEMBL29635862 0.75
Acetone SCHEMBL28076634 0.74 L3MBTL1 (0.50) L3MBTL1TDP1POLBHPGDRAB9A
SCHEMBL972033 0.73 CA1 (0.60) NFE2L2KCNH2L3MBTL1CYP1A2CYP2C19
Water SCHEMBL28959107 0.73 CA1 (0.60) NFE2L2KCNH2L3MBTL1HTR6CYP1A2
Ammonia Solution, Strong SCHEMBL4261840 0.73 CA1 (0.60) NFE2L2KCNH2L3MBTL1CYP1A2CYP2C19

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
US-5654114-A A LITHIUM INTERCALATING AND DEINTERCALATING IN, ZN, MG, GE, SN, PB, SB OR BI OXIDE OR MIXED OXIDE CATHODE, A LITHIUM COBALT METAL OXIDE ANODE CONSISTING OF NI, V, FE, MN, TI OR CU AND A NONAQUEOUS LITHIUM SALT ELECTROLYTE FUJI PHOTO FILM CO., LTD. (JP) 1997-08-05 US disclosed