SCHEMBL7910490

SCHEMBL7910490

CC(C)(C)OC(=O)N(N)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.40
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SRD5A1 P18405 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KMT2A Q03164 3/20 0.32
LMNA P02545 1/20 0.32
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 2/20 0.30
HTR7 P34969 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30

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
SCHEMBL1509166 0.82 CRBN (0.36) MT-CO2SIRT2SIRT1SRD5A1
SCHEMBL2529611 0.78 MT-CO2 (0.42) MT-CO2CA12CA1CA2CA9
SCHEMBL31715318 0.77 ALDH1A1 (0.47) HDAC1HDAC6KMT2ALMNAALDH1A1
SCHEMBL300884 0.76 CA12 (0.42) CA12CA1CA2CA9CA14
SCHEMBL5766183 0.75 MAPT (0.42) MT-CO2CA12CA1CA2CA9
SCHEMBL2309862 0.75 LMNA (0.51) CA12CA1CA2CA9CA14
SCHEMBL8117544 0.75 POLB (0.37) MT-CO2
SCHEMBL13498680 0.74 ALDH1A1 (0.46) CA12CA1CA9KMT2AALDH1A1
SCHEMBL12085974 0.74 KMT2A (0.39) CA1CA2KMT2ALMNAALDH1A1
SCHEMBL7273843 0.74 SMN1; SMN2 (0.48) CA1CA2HDAC1KMT2ALMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3027356-A None JP disclosed
US-6217845-B1 IMAGING; THERAPY ANORMED, INC. (CA) 2001-04-17 US disclosed
US-5753520-A BIOCHEMICAL CONJUGATED WITH A HYDRAZINE OR A HYDRAZONE COMPOUND AS DRUG DELIVERY; HIGH BIOLOGICAL SPECIFICITY; MEDICINE FOR IMAGING, THERAPY, RADIOACTIVE TAGGING JOHNSON MATTHEY INC. (US) 1998-05-19 US disclosed
EP-0384769-B1 Protein labelling JOHNSON MATTHEY PLC (GB) 1996-04-24 EP disclosed
US-5420285-A Imaging for medicine JOHNSON MATTHEY, INC. (US) 1995-05-30 US disclosed
US-5206370-A Certain pyridyl hydrazines and hydrazides useful for protein labeling JOHNSON MATTHEY, INC. (US) 1993-04-27 US disclosed
JP-H0327356-A LABELING OF PROTEIN JOHNSON MATTHEY INC 1991-02-05 JP disclosed
EP-0384769-A2 Protein labelling JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1990-08-29 EP disclosed