SCHEMBL9116547

SCHEMBL9116547

N#Cc1[c]c(C#N)c(Cl)c(C#N)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.30
NPY1R P25929 1/20 0.30
HTT P42858 1/20 0.30
NPY2R P49146 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9115923 0.87 MEN1 (0.46) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL28123477 0.77 MEN1 (0.46) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL11322706 0.75 MEN1 (0.86) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL1033734 0.75 MEN1 (0.86) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL5488318 0.74 MEN1 (0.55) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL27981854 0.72 MEN1 (0.46) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL6151449 0.72 MEN1 (0.93) MEN1ALDH1A1MAPTMAPK1KMT2A
Chlorothalonil SCHEMBL1487631 0.69 MEN1 (1.00) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL18388942 0.69 MEN1 (0.87) MEN1ALDH1A1MAPTMAPK1KMT2A
Chlorothalonil SCHEMBL8200626 0.69 MEN1 (1.00) MEN1ALDH1A1MAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995021893-A1 AZO DYES ZENECA LIMITED (GB) 1995-08-17 WO disclosed
EP-0356014-B1 Reactive Dyes ZENECA LTD (GB) 1994-11-30 EP disclosed
US-5189162-A Colorfast bright dyes for cellulose materials IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
US-5171852-A Dye cellulose textiles bright reddish blue shades IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 US disclosed
US-5126450-A Reactive dyes; blue shades on cotton IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-30 US disclosed
EP-0279122-B1 REACTIVE DYES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-10 EP disclosed
EP-0437920-A1 Reactive dyes ZENECA LIMITED (GB) 1991-07-24 EP disclosed
EP-0432879-A1 Reactive dyes ZENECA LIMITED (GB) 1991-06-19 EP disclosed
US-5019134-A Triphenodioxazines IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-28 US disclosed
EP-0356014-A1 Reactive Dyes ZENECA LIMITED (GB) 1990-02-28 EP disclosed
EP-0279122-A2 Reactive dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-24 EP disclosed