SCHEMBL8700486

SCHEMBL8700486

FC(F)(F)c1ccc(Oc2ccc3nn[nH]c3c2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ TTR P02766 1/20 0.45
▸ PPOX P50336 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HTR2A P28223 4/20 0.41
▸ SLC6A4 P31645 4/20 0.41
▸ KCNH2 Q12809 4/20 0.41
▸ MRGPRX4 Q96LA9 3/20 0.40
▸ EGFR P00533 3/20 0.39
▸ ERBB2 P04626 3/20 0.39
▸ ERBB3 P21860 2/20 0.39
▸ ERBB4 Q15303 2/20 0.39
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ TEK Q02763 1/20 0.36
▸ NPBWR1 P48145 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
SCHEMBL10444103 0.90 FFAR1 (0.46) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8825678 0.81 NPBWR1 (0.33) RAB9AKDRTEKNPBWR1
SCHEMBL7855336 0.78 METAP2 (0.49) KCNH2NPBWR1
SCHEMBL11095176 0.78 FFAR1 (0.65) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10828058 0.75 PSMB8 (0.49) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11014355 0.75 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11010570 0.75 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10838948 0.75 FFAR1 (0.46) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10538095 0.73 NPSR1 (0.57) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10969104 0.73 FFAR1 (0.60) FFAR1MEN1TTRPPOXKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763615-A Methods for the preparation of benzyloxy benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 — — US disclosed
US-5686617-A RING CLOSURE, HYDROGENATION, ETHERIFICATION AMERICAN CYANAMID COMPANY (US) 1997-11-11 — — US disclosed
US-5428003-A Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1995-06-27 — — US disclosed
US-5324711-A Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1994-06-28 — — US disclosed
EP-0367242-A2 Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1990-05-09 — — EP disclosed
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