SCHEMBL8696452

SCHEMBL8696452

COC(=O)Cn1nnc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.46
▸ 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
▸ LMNA P02545 1/20 0.41
▸ GPR139 Q6DWJ6 5/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL8692908 0.92 FFAR1 (0.46) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8825590 0.80 FFAR1 (0.45) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10608969 0.74 FFAR1 (0.45) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10621865 0.74 CBX7 (0.47) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8693697 0.74 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL1574572 0.73 MRGPRX4 (0.53) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10610451 0.73 FFAR1 (0.44) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9711441 0.72 FFAR1 (0.54) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8748928 0.72 FFAR1 (0.54) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10879456 0.72 FFAR1 (0.59) 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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