SCHEMBL8699946

SCHEMBL8699946

COC(=O)C(C)N1NNc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ PPOX P50336 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTR2A P28223 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ SCN8A Q9UQD0 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MRGPRX4 Q96LA9 3/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ ADAM17 P78536 1/20 0.36

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
SCHEMBL8693639 0.85 MAPK1 (0.39) MEN1KMT2AMAPK1KDM4EADAM17
SCHEMBL11258317 0.75 FFAR1 (0.54) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11355385 0.75 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL732095 0.74 FFAR1 (0.58) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11442480 0.74 FFAR1 (0.52) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8693697 0.74 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8825590 0.74 FFAR1 (0.45) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11563835 0.73 FFAR1 (0.49) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11440395 0.73 FFAR1 (0.51) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL29382403 0.73 FFAR1 (0.51) 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 4 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-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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