SCHEMBL9769219

SCHEMBL9769219

CCCCCCCCN(CCCCCCCC)S(=O)(=O)c1[c]cccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.53
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TXNRD1 Q16881 4/20 0.40
MAPT P10636 1/20 0.40
GSR P00390 1/20 0.39
SERPINE1 P05121 1/20 0.38
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
BDKRB2 P30411 1/20 0.35
BDKRB1 P46663 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
SCHEMBL25167883 0.75 VCAM1 (0.53) VCAM1CA12CA1CA9ALDH1A1
SCHEMBL11426081 0.73 CNR2 (0.44) VCAM1CA12CA1CA9SERPINE1
SCHEMBL11420929 0.73 CNR2 (0.44) VCAM1CA12CA1CA9SERPINE1
SCHEMBL9322104 0.72 VCAM1 (0.50) VCAM1CA12CA1CA9ALDH1A1
SCHEMBL9322022 0.72 VCAM1 (0.59) VCAM1CA12CA1CA9ALDH1A1
SCHEMBL9322268 0.72 VCAM1 (0.50) VCAM1CA12CA1CA9ALDH1A1
SCHEMBL9319755 0.72 VCAM1 (0.59) VCAM1CA12CA1CA9ALDH1A1
SCHEMBL16822422 0.72 VCAM1 (0.50) VCAM1CA12CA1CA9ALDH1A1
SCHEMBL23117020 0.72 VCAM1 (0.50) VCAM1CA12CA1CA9ALDH1A1
SCHEMBL16694833 0.72 VCAM1 (0.50) VCAM1CA12CA1CA9ALDH1A1

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-5064752-A Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1991-11-12 US disclosed