SCHEMBL11599150

SCHEMBL11599150

COc1cc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
PKM P14618 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.34
RORC P51449 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 2/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
SLC9A1 P19634 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 4/20 0.32
POLB P06746 3/20 0.32
GALR2 O43603 1/20 0.32
MITF O75030 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 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
SCHEMBL15693771 0.92 ALDH1A1 (0.37) KMT2AMAPTSMN1; SMN2ALDH1A1RORC
SCHEMBL30887199 0.91 KMT2A (0.41) KMT2APKMMAPTSMN1; SMN2ALDH1A1
SCHEMBL12118711 0.90 MAPT (0.37) KMT2APKMMAPTSMN1; SMN2ALDH1A1
SCHEMBL11135600 0.90 MAPT (0.37) KMT2APKMMAPTSMN1; SMN2ALDH1A1
SCHEMBL18951495 0.90 KMT2A (0.38) KMT2APKMMAPTSMN1; SMN2ALDH1A1
SCHEMBL17787409 0.89 ALDH1A1 (0.38) KMT2APKMMAPTSMN1; SMN2ALDH1A1
SCHEMBL15886096 0.88 KMT2A (0.38) KMT2APKMMAPTSMN1; SMN2ALDH1A1
SCHEMBL15469249 0.88 MAPT (0.36) KMT2APKMMAPTSMN1; SMN2ALDH1A1
SCHEMBL18951515 0.87 ALDH1A1 (0.38) KMT2APKMMAPTSMN1; SMN2ALDH1A1
SCHEMBL17787272 0.87 KMT2A (0.36) KMT2APKMMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895561-B1 INKS AND A PROCESS FOR INK-JET PRINTING TEXTILE FIBRE MATERIALS HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-09-20 EP disclosed
US-9371463-B2 Inks and a process for ink-jet printing textile fibre materials HUNTSMAN INTERNATIONAL LLC (US) 2016-06-21 US disclosed
US-9371463-B2 Inks and a process for ink-jet printing textile fibre materials HUNTSMAN INTERNATIONAL LLC (US) 2016-06-21 US disclosed
US-20150225584-A1 Inks and a Process for Ink-Jet Printing Textile Fibre Materials HUNTSMAN INTERNATIONAL LLC 2015-08-13 US disclosed
US-20150225584-A1 Inks and a Process for Ink-Jet Printing Textile Fibre Materials HUNTSMAN INTERNATIONAL LLC 2015-08-13 US disclosed
WO-2014040810-A1 INKS AND A PROCESS FOR INK-JET PRINTING TEXTILE FIBRE MATERIALS HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2014-03-20 WO disclosed
US-4081278-A AND A REDUCIBLE DYE OR DYE PRECURSOR EASTMAN KODAK COMPANY (US) 1978-03-28 US disclosed