SCHEMBL15469249

SCHEMBL15469249

COc1cc(/N=N/c2c(C#N)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 7/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 4/20 0.33
POLB P06746 3/20 0.33
RECQL P46063 2/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
GAA P10253 1/20 0.33
GLA P06280 1/20 0.31
GALR2 O43603 1/20 0.31
MITF O75030 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
CCR6 P51684 1/20 0.31

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
SCHEMBL11135600 0.88 MAPT (0.37) MAPTKMT2APKMHTTSMN1; SMN2
SCHEMBL11599150 0.88 KMT2A (0.37) MAPTKMT2APKMHTTSMN1; SMN2
SCHEMBL12118711 0.88 MAPT (0.37) MAPTKMT2APKMHTTSMN1; SMN2
SCHEMBL15693769 0.87 MAPT (0.35) MAPTKMT2APKMHTTSMN1; SMN2
SCHEMBL15885937 0.86 ALDH1A1 (0.35) MAPTKMT2APKMHTTSMN1; SMN2
SCHEMBL887561 0.84 ALDH1A1 (0.39) MAPTKMT2APKMHTTSMN1; SMN2
SCHEMBL887528 0.84 HTT (0.39) MAPTKMT2APKMHTTALDH1A1
SCHEMBL30887186 0.84 MAPT (0.38) MAPTKMT2APKMHTTSMN1; SMN2
SCHEMBL15229841 0.83 MAPT (0.37) MAPTKMT2APKMHTTSMN1; SMN2
SCHEMBL15229838 0.83 MAPT (0.37) MAPTKMT2APKMHTTSMN1; SMN2

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-20140041134-A1 Method of Dyeing Polyester HUNTSMAN INTERNATIONAL LLC (US) 2014-02-13 US disclosed
US-20140041134-A1 Method of Dyeing Polyester HUNTSMAN INTERNATIONAL LLC (US) 2014-02-13 US disclosed