SCHEMBL8840252

SCHEMBL8840252

O=C(O)c1cc(Cl)c(Cl)c(Cl)c1.[N-]=[N+]=N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.54
▸ TSHR P16473 3/20 0.47
▸ TPMT P51580 4/20 0.46
▸ SRD5A2 P31213 1/20 0.41
▸ HCAR1 Q9BXC0 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.40
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL7263572 0.87 TTR (0.68) TTRTSHRTPMTSRD5A2HCAR1
SCHEMBL8840346 0.86 TTR (0.52) TTRTSHRTPMTSRD5A2HCAR1
Fluoride SCHEMBL27668632 0.84 TTR (0.65) TTRTSHRTPMTSRD5A2HCAR1
SCHEMBL8840331 0.84 TTR (0.50) TTRTSHRTPMTSRD5A2HCAR1
SCHEMBL8840267 0.84 TTR (0.50) TTRTSHRTPMTSRD5A2HCAR1
2,6-Dichloroisonicotinic Acid SCHEMBL11350560 0.78 TPMT (0.45) TTRTSHRTPMTHCAR1GPR35
SCHEMBL1458329 0.74 TTR (0.64) TTRTSHRTPMTSRD5A2HCAR1
SCHEMBL30927164 0.74 TTR (0.64) TTRTSHRTPMTSRD5A2HCAR1
SCHEMBL3769878 0.74 TTR (0.58) TTRTSHRTPMTSRD5A2HCAR1
SCHEMBL23699452 0.72 TTR (0.56) TTRTSHRTPMTSRD5A2HCAR1

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-5607977-A PESTICIDES SHELL AGRAR GMBH & CO. KG (DE) 1997-03-04 — — US disclosed
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