SCHEMBL16225601

SCHEMBL16225601

CCCCNC(=O)OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MGLL Q99685 2/20 0.52
ACHE P22303 8/20 0.46
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL1056789 0.95 MGLL (0.54) KMT2AMGLLMEN1LMNATP53
SCHEMBL1057422 0.92 KMT2A (0.44) KMT2AMGLLMEN1LMNATP53
SCHEMBL15969811 0.91 TGM2 (0.45) KMT2AMGLLMEN1LMNATP53
SCHEMBL16924653 0.89 ALDH1A1 (0.42) KMT2AMEN1LMNA
SCHEMBL6868708 0.86 ALDH1A1 (0.47) KMT2AMEN1LMNATP53
SCHEMBL14962143 0.83 ALDH1A1 (0.42) KMT2AMEN1
SCHEMBL6448999 0.81 MGLL (0.53) KMT2AMGLLMEN1LMNATP53
SCHEMBL1053903 0.81 MGLL (0.53) KMT2AMGLLMEN1LMNATP53
SCHEMBL10401227 0.81 MGLL (0.53) KMT2AMGLLMEN1LMNATP53
SCHEMBL3612593 0.81 MGLL (0.53) KMT2AMGLLMEN1LMNATP53

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-9091920-B2 Photosensitive siloxane resin composition MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-20140335448-A1 PHOTOSENSITIVE SILOXANE RESIN COMPOSITION AZ ELECTRONIC MATERIALS USA CORP. (US) 2014-11-13 US disclosed