SCHEMBL8322789

SCHEMBL8322789

Cn1c(=O)n(CC(=O)O)c(=O)n(-c2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc2[N+](=O)[O-])c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TTR P02766 1/20 0.41
▸ PPOX P50336 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.38
▸ AKR1B1 P15121 2/20 0.34
▸ PLA2G7 Q13093 5/20 0.33
▸ THRB P10828 2/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ KIF11 P52732 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL8320812 0.92 MEN1 (0.38) MEN1KMT2ATTRPPOXTDP1
SCHEMBL8321355 0.91 MEN1 (0.37) MEN1KMT2ATTRPPOXTDP1
SCHEMBL9015950 0.87 PTGDR2 (0.40) PTGDR2AKR1B1PLA2G7THRBHIF1A
SCHEMBL8318409 0.81 LMNA (0.36) MEN1KMT2ATDP1PTGDR2PLA2G7
SCHEMBL8318553 0.79 MEN1 (0.53) MEN1KMT2ATTRPPOXTDP1
SCHEMBL8318657 0.79 LMNA (0.35) MEN1KMT2ATDP1PTGDR2PLA2G7
SCHEMBL8317300 0.78 TDP1 (0.55) MEN1KMT2ATTRPPOXTDP1
SCHEMBL8326574 0.76 GRIN1 (0.37) KMT2APTGDR2PLA2G7KDM4EALDH1A1
SCHEMBL9015938 0.75 TDP1 (0.52) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10924885 0.75 TDP1 (0.59) MEN1KMT2ATTRPPOXTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883282-A UREA CHEMICAL INTERMEDIATES; RICE AMERICAN CYANAMID COMPANY (US) 1999-03-16 — — US disclosed
US-5763605-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 — — US disclosed
US-5670641-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-09-23 — — US disclosed
US-5654256-A PREEMERGENCE, POSTEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1997-08-05 — — US disclosed
US-5604180-A RICE CROPS AMERICAN CYANAMID COMPANY 1997-02-18 — — US disclosed
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 — — US disclosed
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