SCHEMBL6178609

SCHEMBL6178609

Cc1ccc(Nc2nc(Cl)nc(Cl)n2)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.49
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
KAT2B Q92831 2/20 0.47
NFKB1 P19838 1/20 0.47
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL6178230 0.85 L3MBTL1 (0.60) KCNMA1TSHRNFKB1ALDH1A1L3MBTL1
SCHEMBL6176751 0.82 GAA (0.59) KCNMA1CYP3A4ALDH1A1L3MBTL1MAPT
SCHEMBL6178801 0.81 MAPT (0.49) KCNMA1TSHRCYP3A4KAT2BALDH1A1
SCHEMBL6178286 0.81 MAPT (0.49) KCNMA1TSHRCYP3A4KAT2BALDH1A1
SCHEMBL6180492 0.79 TSHR (0.57) TSHRNFKB1ALDH1A1L3MBTL1MAPT
SCHEMBL6178417 0.78 RAB9A (0.56) KCNMA1TSHRCYP3A4KAT2BALDH1A1
SCHEMBL8973681 0.77 NPC1 (0.56) TSHRNFKB1ALDH1A1L3MBTL1MAPT
SCHEMBL8974866 0.77 TSHR (0.58) TSHRCYP3A4NFKB1ALDH1A1MAPT
SCHEMBL8758312 0.77 L3MBTL1 (0.64) KCNMA1TSHRCYP3A4KAT2BALDH1A1
SCHEMBL14940507 0.74 NFKB1 (0.53) TSHRNFKB1ALDH1A1L3MBTL1MAPT

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
EP-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP claimed
US-3939158-A N-(2,4-dihalo-S-triazin-6-yl)-ureas and process for their manufacture CIBA-GEIGY AG (CH) 1976-02-17 US disclosed