SCHEMBL9641898

SCHEMBL9641898

O=[N+]([O-])c1c(I)cc(Cl)c(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.59
▸ ALDH1A1 P00352 6/20 0.48
▸ GRIN2D O15399 3/20 0.42
▸ GRIN3B O60391 3/20 0.42
▸ GRIN1 Q05586 3/20 0.42
▸ GRIN2A Q12879 3/20 0.42
▸ GRIN2B Q13224 3/20 0.42
▸ GRIN2C Q14957 3/20 0.42
▸ GRIN3A Q8TCU5 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL9640728 0.82 TSHR (0.53) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL9194645 0.81 TSHR (0.61) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL5921857 0.80 TSHR (0.74) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL4704948 0.79 TSHR (0.59) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL11589863 0.75 TSHR (0.59) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL8874607 0.75 TSHR (0.59) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL11884074 0.75 TSHR (0.59) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL10976188 0.75 TSHR (0.59) TSHRALDH1A1GRIN2DGRIN3BGRIN1
Tecnazene SCHEMBL64355 0.75 TSHR (1.00) TSHRALDH1A1GRIN2DGRIN3BGRIN1
Tecnazene SCHEMBL3014845 0.75 TSHR (1.00) TSHRALDH1A1GRIN2DGRIN3BGRIN1

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-5106407-A Algicides, funcilides, bactericides THE DOW CHEMICAL COMPANY (US) 1992-04-21 — — US disclosed
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