SCHEMBL14593147

SCHEMBL14593147

COC(=O)c1ccc(C)[n+](Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MGLL Q99685 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 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
Bromide SCHEMBL5196843 0.99 CA1 (0.48) CA1CA2PKMTSHRRAB9A
Bromide SCHEMBL7927775 0.76 TDP1 (0.44) CA1CA2TSHRMAPTLMNA
SCHEMBL12289085 0.73 TDP1 (0.42) CA1CA2RAB9AMAPTHPGD
Bromide SCHEMBL9155378 0.73 NPSR1 (0.62) CA1CA2PKMTSHRLMNA
SCHEMBL21990759 0.72 PKM (0.75) CA1CA2PKMTSHRRAB9A
SCHEMBL9915908 0.71 TDP1 (0.53) CA1CA2TSHRRAB9AMAPT
SCHEMBL6158387 0.71 TSHR (0.67) CA1CA2TSHRRAB9ANPC1
SCHEMBL1928912 0.71 TSHR (0.67) CA1CA2TSHRRAB9ANPC1
SCHEMBL18775300 0.71 PKM (0.68) CA1CA2PKMTSHRRAB9A
Bromide SCHEMBL31320108 0.70 PKM (0.45) CA1CA2PKMTSHRRAB9A

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-7163936-B2 β-lactam compounds and process for producing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-01-16 US disclosed