SCHEMBL27477757

SCHEMBL27477757

O=C(NO)c1cncc(-c2cccs2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.56
HDAC6 Q9UBN7 4/20 0.56
HDAC8 Q9BY41 3/20 0.56
KDM4E B2RXH2 7/20 0.47
NPC1 O15118 5/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
F2 P00734 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 4/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL27501691 0.87 KDM4E (0.52) HDAC1HDAC6HDAC8KDM4ENPC1
SCHEMBL3424662 0.78 KDM4E (0.68) KDM4ENPC1HSD17B10MAPK1MEN1
SCHEMBL27463009 0.76 HDAC6 (0.50) HDAC1HDAC6HDAC8LMNA
SCHEMBL3059145 0.72 NPC1 (0.56) KDM4ENPC1HSD17B10MAPK1MEN1
SCHEMBL9911643 0.71 RAB9A (0.70) KDM4ENPC1HSD17B10MEN1KMT2A
SCHEMBL3420990 0.68 KDM4E (0.53) HDAC1KDM4ENPC1HSD17B10MAPK1
SCHEMBL2972148 0.68 KDM4E (0.63) KDM4ENPC1HSD17B10MAPK1MEN1
SCHEMBL27463889 0.67 KDM4E (0.47) KDM4ENPC1HSD17B10MAPK1MEN1
SCHEMBL9081166 0.67 KDM4E (0.61) KDM4ENPC1HSD17B10MAPK1MEN1
SCHEMBL2932828 0.67 KDM4E (0.61) KDM4ENPC1HSD17B10MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159188-A Herbicidal pyrazine derivatives BASF AG (DE) 1997-09-10 CN disclosed