SCHEMBL9999993

SCHEMBL9999993

CCc1cc(N(CN(C)[N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SNCA P37840 2/20 0.39
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HCAR3 P49019 4/20 0.37
PDK1 Q15118 1/20 0.37
ALDH3A1 P30838 2/20 0.35
HTT P42858 3/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 2/20 0.32

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
SCHEMBL9928435 0.74 ALDH1A1 (0.50) KDM4EALDH1A1HCAR3ALDH3A1HTT
SCHEMBL12658952 0.71 SNCA (0.50) ALDH1A1SNCAALOX15ALOX12PDK1
SCHEMBL5583302 0.70 ALDH1A1 (0.54) KDM4EALDH1A1SNCAALOX15ALOX12
SCHEMBL12776823 0.70 SNCA (0.74) KDM4EALDH1A1SNCAALOX15ALOX12
SCHEMBL6835952 0.67 POLB (0.52) ALDH1A1SNCAALOX15PDK1HTT
SCHEMBL14410103 0.65 SNCA (0.46) KDM4EALDH1A1SNCAALOX15ALOX12
SCHEMBL9848594 0.65 MEN1 (0.56) KDM4EALDH1A1SNCAALOX15ALOX12
SCHEMBL6834085 0.65 MAPT (0.50) ALDH1A1SNCAALOX15PDK1HTT
SCHEMBL12737369 0.64 PTGS2 (0.38) KDM4EALDH1A1SNCAALOX15ALOX12
SCHEMBL11127500 0.63 PDK1 (0.46) ALDH1A1SNCAALOX15ALOX12PDK1

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-8101708-B2 Solvent resistant polymers MOHANTY DILLIP K (US) 2012-01-24 US disclosed
US-20110172385-A1 Solvent resistant polymers MOHANTY DILLIP K 2011-07-14 US disclosed