SCHEMBL11051233

SCHEMBL11051233

O=[N+]([O-])c1cc(S(=O)(=O)Cl)cc2cc(S(=O)(=O)Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 8/20 0.45
HPRT1 P00492 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8973579 0.85 ALDH1A1 (0.56) VCAM1HPRT1ALDH1A1TDP1CA1
SCHEMBL3813276 0.81 VCAM1 (0.50) VCAM1ALDH1A1CA1CA2CA12
SCHEMBL27988464 0.79 ALDH1A1 (0.64) VCAM1HPRT1ALDH1A1TDP1HPGD
SCHEMBL376610 0.78 VCAM1 (0.71) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL30430066 0.78 VCAM1 (0.71) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL7754095 0.77 VCAM1 (0.50) VCAM1ALDH1A1TDP1HPGDCA1
SCHEMBL9512230 0.76 VCAM1 (0.50) VCAM1ALDH1A1CA1CA2CA12
SCHEMBL6512416 0.76 VCAM1 (0.46) VCAM1ALDH1A1TDP1HPGDCA1
SCHEMBL4865932 0.76 MEN1 (0.63) VCAM1ALDH1A1TDP1CA1CA2
SCHEMBL1059060 0.76 CA12 (0.71) VCAM1ALDH1A1TDP1HPGDCA1

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-4438245-A FOR LIGHT SENSITIVE ELEMENTS FUJI PHOTO FILM CO., LTD. (JP) 1984-03-20 US disclosed