SCHEMBL16972889

SCHEMBL16972889

Cc1ncc(Cl)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 3/20 0.41
DCTPP1 Q9H773 7/20 0.38
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 1/20 0.35
F2 P00734 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL31539799 0.85 GRIN2D (0.41) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL27942973 0.85 GRIN2D (0.41) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL31539724 0.80 TSHR (0.54) TSHRALDH1A1DCTPP1GRIN2DGRIN3B
SCHEMBL6833235 0.78 TSHR (0.52) TSHRALDH1A1DCTPP1GRIN2DGRIN3B
SCHEMBL30225936 0.77 TSHR (0.50) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL209310 0.77 TSHR (0.50) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL17767940 0.73 GRIN2D (0.41) TSHRALDH1A1DCTPP1GRIN2DGRIN3B
SCHEMBL2972185 0.73 ALDH1A1 (0.44) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL27318752 0.72 MAPT (0.42) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL11714399 0.72 CYP1A2 (0.43) TSHRALDH1A1MAPTMEN1KMT2A

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-3099672-A1 FUSED IMIDAZOLE COMPOUNDS ONO Pharmaceutical Co., Ltd. (JP) 2016-12-07 EP disclosed
WO-2015115673-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 WO disclosed