SCHEMBL8723112

SCHEMBL8723112

CC(C)(C)OC(=O)N(N)c1ccc(N)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.32
NR1H2 P55055 1/20 0.32
PTGS1 P23219 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
SSTR4 P31391 1/20 0.31
SYK P43405 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
USP30 Q70CQ3 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
SCHEMBL6018932 0.86 SYK (0.37) KDM4EPOLBRAB9AALDH1A1NR1H2
SCHEMBL56808 0.85 TTK (0.37) KDM4EPOLBRAB9AALDH1A1NR1H2
SCHEMBL2558802 0.82 HCAR3 (0.48) ALDH1A1
SCHEMBL23620907 0.82 SSTR4 (0.34) KDM4EPOLBRAB9ASSTR4SYK
SCHEMBL29392374 0.82 SSTR4 (0.34) KDM4EPOLBRAB9ASSTR4SYK
SCHEMBL30676213 0.81 USP30 (0.43) KDM4EPOLBRAB9AALDH1A1NR1H2
SCHEMBL19674226 0.81 AOC3 (0.34) KDM4EPOLBRAB9AGPR119SSTR4
SCHEMBL26826927 0.81 USP30 (0.43) KDM4EPOLBRAB9AALDH1A1NR1H2
SCHEMBL28781892 0.80 MEN1 (0.34) POLBALDH1A1USP30
SCHEMBL7913868 0.79 CYP2C19 (0.49) KDM4EPOLBRAB9AALDH1A1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0384769-A2 Protein labelling JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1990-08-29 EP disclosed