SCHEMBL4660922

SCHEMBL4660922

O=[N+]([O-])c1c(F)cc(O)cc1CI

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.34
▸ SNCA P37840 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ EGFR P00533 1/20 0.31

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
SCHEMBL1283214 0.81 TTR (0.41) TTRTAAR1GRIN2DGRIN3BGRIN1
SCHEMBL16039290 0.73 ALDH1A1 (0.50) TTRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29291497 0.69 SNCA (0.53) TTRSNCAMEN1KMT2AALDH1A1
SCHEMBL10180093 0.68 ATM (0.40) TTRSNCAGRIN2DGRIN3BGRIN1
SCHEMBL18959391 0.66 TAAR1 (0.38) TTRTAAR1
SCHEMBL11793625 0.66 GPR35 (0.48) TTRSNCAMEN1KMT2ALMNA
SCHEMBL12458282 0.66 ATM (0.41) TTRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1905941 0.65 MEN1 (0.50) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL9820291 0.65 GAA (0.45) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL25353394 0.64 GRIN2D (0.42) TTRGRIN2DGRIN3BGRIN1GRIN2A

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-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 — — EP disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 — — WO disclosed
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