SCHEMBL8323124

SCHEMBL8323124

N#Cc1ccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)cc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.39
TRPV4 Q9HBA0 1/20 0.39
PGR P06401 1/20 0.37
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
HDAC3 O15379 1/20 0.36
BRAF P15056 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 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
SCHEMBL8325245 0.83 HDAC3 (0.39) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9847110 0.83 AR (0.43) ARTRPV4PGRSLC22A12
SCHEMBL10806230 0.80 KMT2A (0.57) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9847119 0.79 TRPV4 (0.43) ARTRPV4PGRSLC22A12
SCHEMBL10810845 0.78 MRGPRX4 (0.48) KMT2AMRGPRX4HDAC1HDAC6HDAC5
SCHEMBL8320983 0.78 AR (0.40) ARTRPV4PGRSLC22A12TLR8
SCHEMBL9751346 0.78 MEN1 (0.48) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9751312 0.78 MEN1 (0.41) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11041547 0.76 KIF11 (0.41) ARKMT2AMRGPRX4TLR8
SCHEMBL10443317 0.75 AR (0.47) ARTRPV4PGR

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 7 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
EP-0745595-A1 3-(3-Aryloxyphenyl)-1-(substituted methyl)-s-triazine-2,4,6-oxo or thiotrione herbicidal agents American Cyanamid Company (US) 1996-12-04 EP disclosed
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 US disclosed