SCHEMBL6996836

SCHEMBL6996836

COC(=O)/C=C/c1cn(C)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TYR P14679 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NFE2L2 Q16236 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL18700765 0.83 HDAC3 (0.35) MAPTCYP2C9CYP2C19HDAC3HDAC4
SCHEMBL20518392 0.83 HDAC3 (0.35) MAPTCYP2C9CYP2C19HDAC3HDAC4
SCHEMBL18733653 0.83 HDAC3 (0.35) MAPTCYP2C9CYP2C19HDAC3HDAC4
SCHEMBL16852894 0.83 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL6994919 0.81 HDAC3 (0.39) CA12CA1CA2TYRCA7
SCHEMBL6994925 0.81 HDAC3 (0.39) CA12CA1CA2TYRCA7
SCHEMBL28662823 0.80 CA12 (0.41) CA12CA1CA2TYRCA7
SCHEMBL28265447 0.80 CA12 (0.41) CA12CA1CA2TYRCA7
SCHEMBL28625845 0.78 HDAC3 (0.41) CA12CA1CA2TYRCA7
SCHEMBL28640969 0.78 HDAC3 (0.41) CA12CA1CA2TYRCA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed