SCHEMBL7910494

SCHEMBL7910494

CC(C)(C)OC(=O)c1ccc(C(=O)ON2C(=O)CCC2=O)c(NN)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 11/20 0.39
SRD5A1 P18405 1/20 0.38
ALDH1A1 P00352 10/20 0.35
HTR7 P34969 1/20 0.35
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
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6512773 0.89 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2HSD17B10GAA
SCHEMBL6512762 0.84 ALDH1A1 (0.46) KDM4EALDH1A1CA12CA1CA9
SCHEMBL7870393 0.79 KDM4E (0.43) ALOX15KDM4EALDH1A1CA12CA1
SCHEMBL9494583 0.77 SLC7A5 (0.44) ALOX15SRD5A1ALDH1A1HTR7CA12
SCHEMBL7990866 0.76 CYP17A1 (0.38) ALOX15KDM4ESRD5A1CA12CA1
SCHEMBL1509168 0.76 KDM4E (0.31) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL25063427 0.74 ADRA1A (0.41) KDM4EALDH1A1SMN1; SMN2HSD17B10GAA
SCHEMBL8130174 0.73 GABRA1 (0.33) ALDH1A1GAAGABRA1GABRG2GABRB3
SCHEMBL12756281 0.72 MAPK1 (0.35) KDM4EALDH1A1CA12CA1CA9
SCHEMBL9890035 0.72 RXFP1 (0.46) KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1

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