SCHEMBL9133166

SCHEMBL9133166

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.71
MEN1 O00255 1/20 0.71
TTR P02766 1/20 0.71
PPOX P50336 1/20 0.71
KMT2A Q03164 1/20 0.71
FFAR1 O14842 3/20 0.48
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE7A Q13946 1/20 0.43
POLB P06746 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL8694365 0.90 TDP1 (0.74) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10706908 0.90 TDP1 (0.74) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10540835 0.89 TDP1 (0.73) TDP1MEN1TTRPPOXKMT2A
SCHEMBL30689708 0.89 TDP1 (0.73) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10948668 0.88 TDP1 (0.71) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10931184 0.88 TDP1 (0.71) TDP1MEN1TTRPPOXKMT2A
SCHEMBL7573114 0.86 MEN1 (0.73) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10963114 0.86 TDP1 (0.70) TDP1MEN1TTRPPOXKMT2A
Potassium Ion SCHEMBL10541173 0.86 TDP1 (0.70) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10348047 0.86 TDP1 (0.70) TDP1MEN1TTRPPOXKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225673-B1 PROCESS FOR THE PREPARATION OF ACYL UREAS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-10-25 EP claimed
EP-0225673-A1 Process for the preparation of acyl ureas SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-06-16 EP claimed
US-5424280-A Aryloxybenzene herbicidal agents AMERICAN CYANAMID COMPANY (US) 1995-06-13 US disclosed
EP-0647612-A1 Aryloxybenzene herbicidal agents AMERICAN CYANAMID COMPANY (US) 1995-04-12 EP disclosed
EP-0398404-B1 A process for the preparation of acyl ureas SHELL INT RESEARCH (NL) 1994-07-13 EP disclosed
EP-0225673-B1 PROCESS FOR THE PREPARATION OF ACYL UREAS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-10-25 EP disclosed
EP-0225673-A1 Process for the preparation of acyl ureas SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-06-16 EP disclosed
US-4104313-A BERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed