SCHEMBL16077518

SCHEMBL16077518

COCCNC(=O)c1cc([N+](=O)[O-])[nH]n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HCAR3 P49019 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL13248185 0.87 HPGD (0.50) HPGDPOLBLMNASMN1; SMN2MEN1
SCHEMBL13248187 0.87 HPGD (0.52) HPGDPOLBLMNASMN1; SMN2MEN1
SCHEMBL13248184 0.85 HPGD (0.50) HPGDPOLBLMNASMN1; SMN2MEN1
SCHEMBL13248190 0.83 HPGD (0.56) HPGDPOLBKDM4EMEN1KMT2A
SCHEMBL18611642 0.81 HPGD (0.49) HPGDLMNAKDM4EALDH1A1HDAC3
SCHEMBL1754953 0.80 HPGD (0.46) HPGDPOLBLMNAKDM4ESMN1; SMN2
SCHEMBL25449 0.78 MAPK1 (0.57) HPGDPOLBKDM4ESMN1; SMN2MEN1
SCHEMBL15298144 0.77 HPGD (0.50) HPGDLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13248194 0.77 HPGD (0.41) HPGDPOLBHDAC3HDAC4HDAC1
SCHEMBL18059269 0.76 MAPT (0.54) HPGDLMNAKDM4ESMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140267672-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MEDICAL SYSTEMS, INC. 2014-09-18 US disclosed
US-20140267672-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MEDICAL SYSTEMS, INC. 2014-09-18 US disclosed