SCHEMBL4685693

SCHEMBL4685693

NNc1ccc(N2C(=O)CCC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA9 Q16790 2/20 0.53
CA2 P00918 1/20 0.53
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.46
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 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
SCHEMBL24259899 0.83 CA12 (0.53) CA12CA1CA9CA2POLB
SCHEMBL11478927 0.82 CA12 (0.67) CA12CA1CA9CA2POLB
SCHEMBL8965241 0.76 HSP90AA1 (0.65) CA12CA1CA9CA2POLB
SCHEMBL6140745 0.76 CA12 (0.59) CA12CA1CA9CA2POLB
SCHEMBL8123656 0.72 ALDH1A1 (0.51) ALDH1A1LMNAGLA
SCHEMBL3780616 0.71 LMNA (0.67) CA12CA1CA9CA2POLB
SCHEMBL28503117 0.71 FAAH (0.58) CA12CA1CA9CA2POLB
SCHEMBL572883 0.71 KMT2A (0.83) CA12CA1CA9CA2POLB
SCHEMBL25883485 0.71 MGLL (0.71) CA12CA1CA9CA2POLB
SCHEMBL28117894 0.71 FAAH (0.58) CA12CA1CA9CA2POLB

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
EP-1945664-A2 METHOD AND ANTIBODIES FOR DETECTING NITROFURAN Charm Sciences Inc. (US) 2008-07-23 EP disclosed
WO-2007024735-A2 METHOD AND ANTIBODIES FOR DETECTING NITROFURAN CHARM SCIENCES, INC. (US) 2007-03-01 WO disclosed
EP-1745289-A2 METHODS AND ANTIBODIES FOR NITROFURAN DETECTION Charm Sciences Inc. (US) 2007-01-24 EP disclosed
WO-2005103698-A2 METHODS AND ANTIBODIES FOR NITROFURAN DETECTION CHARM SCIENCES, INC. (US) 2005-11-03 WO disclosed