SCHEMBL16152114

SCHEMBL16152114

CCCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.66
MAPT P10636 5/20 0.64
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 3/20 0.60
PKM P14618 2/20 0.60
ALDH1A1 P00352 1/20 0.59
PRSS1 P07477 2/20 0.54
KAT2B Q92831 3/20 0.53
CYP19A1 P11511 2/20 0.52
RIPK1 Q13546 2/20 0.50

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
SCHEMBL10428098 1.00 HCAR3 (0.66) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL20968369 1.00 HCAR3 (0.66) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL29306545 0.99 HCAR3 (0.67) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL14294847 0.94 MAPT (0.69) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL13168998 0.88 MAPT (0.61) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL14063303 0.88 HCAR3 (0.65) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL8147273 0.88 MAPT (0.65) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL8744502 0.87 MAPT (0.58) HCAR3MAPTKDM4ELMNAMAPK1
SCHEMBL17923845 0.86 KAT2B (0.64) MAPTKDM4EPOLBPKMALDH1A1
SCHEMBL9098100 0.86 MAPT (0.57) HCAR3MAPTKDM4ELMNAMAPK1

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
US-8853188-B2 Compositions and methods for cancer treatment WOMEN AND INFANTS HOSPITAL OF RI, INC. (US) 2014-10-07 US disclosed