SCHEMBL10541024

SCHEMBL10541024

CCOc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.44
GPR35 Q9HC97 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40
GABRB3 P28472 3/20 0.40
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
MRGPRX4 Q96LA9 2/20 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
SCHEMBL11349119 0.82 LMNA (0.41) TDP1LMNAMAPTALDH1A1HTT
SCHEMBL12128991 0.79 MRGPRX4 (0.55) L3MBTL1LMNAMAPTATMCYP1A2
SCHEMBL16770642 0.78 NPSR1 (0.41) PDE2AGPR35TDP1L3MBTL1LMNA
Ammonia Solution, Strong SCHEMBL16195080 0.78 MRGPRX4 (0.54) L3MBTL1LMNAMAPTATMCYP1A2
SCHEMBL17910956 0.77 LMNA (0.43) TDP1L3MBTL1LMNAMAPTALDH1A1
SCHEMBL28039017 0.77 KDM4E (0.41) PDE2AGPR35TDP1LMNAMAPT
SCHEMBL27260206 0.76 PDE2A (0.38) PDE2AGPR35TDP1L3MBTL1ALDH1A1
SCHEMBL12681500 0.76 CYP1A2 (0.50) TDP1LMNAMAPTALDH1A1HTT
SCHEMBL1814147 0.76 L3MBTL1 (0.55) GPR35L3MBTL1LMNAMAPTATM
SCHEMBL12401802 0.74 CYP2C19 (0.39) PDE2ALMNAALDH1A1HTTCYP1A2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4795825-A METAL OR AMMONIUM SALT OF CARBOXY DERIVATICE ROHM AND HAAS COMPANY (US) 1989-01-03 US disclosed
US-4772744-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1988-09-20 US disclosed
US-4662935-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1987-05-05 US disclosed
US-4613360-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1986-09-23 US disclosed
US-4594100-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1986-06-10 US disclosed
US-4515988-A PRE- AND POSTEMERGENCE ROHM AND HAAS COMPANY (US) 1985-05-07 US disclosed
US-RE31731-E Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers Bayer, Horst O. (US) 1984-11-13 US disclosed
US-4445930-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1984-05-01 US disclosed
US-4422868-A PLANT GROWTH REGULATORS ROHM AND HAAS COMPANY (US) 1983-12-27 US disclosed
US-4419124-A Herbicidal 4-trifluoromethyl-3'-nitrogen-substituted-4'-substituted diphenyl ethers ROHM AND HAAS COMPANY (US) 1983-12-06 US disclosed
US-4419122-A Herbicidal 4-trifluoromethyl-3'-oxygen-substituted-4'-substituted diphenyl ethers ROHM AND HAAS COMPANY (US) 1983-12-06 US disclosed
US-4415354-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES ROHM AND HAAS COMPANY (US) 1983-11-15 US disclosed
US-4358308-A PREEMERGENT AND POSTEMERGENT APPLICATION ROHM AND HAAS COMPANY (US) 1982-11-09 US disclosed
US-4350522-A Herbicidal 4-trifluoromethyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1982-09-21 US disclosed
US-4330324-A PREEMERGENCE APPLICATION ROHM AND HAAS COMPANY (US) 1982-05-18 US disclosed
US-4220468-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-09-02 US disclosed
US-4185995-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-01-29 US disclosed
US-4093446-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1978-06-06 US disclosed
US-4063929-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1977-12-20 US disclosed
US-4046798-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1977-09-06 US disclosed