SCHEMBL14231402

SCHEMBL14231402

Nc1cccc(Nc2nc(Cl)nc(Nc3cccc(N)c3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ NFKB1 P19838 2/20 0.60
▸ POLB P06746 2/20 0.54
▸ LMNA P02545 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ SYK P43405 1/20 0.53
▸ XBP1 P17861 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ APP P05067 3/20 0.51
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA9 Q16790 2/20 0.51

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
SCHEMBL31302305 0.91 MEN1 (0.63) MEN1MAPTKMT2APOLBLMNA
SCHEMBL11795454 0.91 MEN1 (0.63) MEN1MAPTKMT2APOLBLMNA
SCHEMBL14236870 0.85 MEN1 (0.74) MEN1MAPTKMT2AMAPK1NFKB1
SCHEMBL31149857 0.85 MAPT (0.57) MEN1MAPTKMT2AMAPK1POLB
SCHEMBL11582751 0.85 MAPT (0.57) MEN1MAPTKMT2AMAPK1POLB
SCHEMBL30562985 0.85 MEN1 (0.74) MEN1MAPTKMT2AMAPK1NFKB1
SCHEMBL13771495 0.85 ALDH1A1 (0.64) MEN1MAPTKMT2AMAPK1NFKB1
SCHEMBL13421105 0.84 MAPT (0.55) MEN1MAPTKMT2AMAPK1POLB
SCHEMBL20820089 0.83 NFKB1 (0.76) MEN1MAPTKMT2AMAPK1NFKB1
SCHEMBL14118005 0.82 IDH2 (0.61) MEN1MAPTKMT2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096220-A1 NOVEL TRIAZINE-BASED DETOXIFICATION AGENTS AND THEIR USE ASTREA UK SERVICES LIMITED (GB) 2008-04-24 — — US disclosed
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