SCHEMBL9775685

SCHEMBL9775685

CC(C)Oc1cc(-c2ccccc2N)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 2/20 0.43
ALOX5AP P20292 5/20 0.43
FEN1 P39748 5/20 0.43
CSNK2A1 P68400 2/20 0.40
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
PPOX P50336 2/20 0.39
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR8 Q9NR97 1/20 0.36
KCNN4 O15554 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL16319622 0.84 NPC1 (0.47) MAP2ALOX5APFEN1ALDH1A1L3MBTL1
SCHEMBL9775690 0.83 ALOX5AP (0.43) MAP2ALOX5APFEN1ALDH1A1L3MBTL1
SCHEMBL4678114 0.78 PPOX (0.45) MAP2ALOX5APFEN1CSNK2A1S1PR1
SCHEMBL16320153 0.75 ALDH1A1 (0.45) ALOX5APFEN1ALDH1A1L3MBTL1KCNN4
SCHEMBL20522392 0.74 ALDH1A1 (0.52) ALOX5APFEN1ALDH1A1L3MBTL1TLR8
SCHEMBL23000418 0.70 GCGR (0.41) MAP2ALOX5APFEN1CSNK2A1S1PR1
SCHEMBL30116386 0.70 GCGR (0.41) MAP2ALOX5APFEN1CSNK2A1S1PR1
SCHEMBL16727184 0.70 PPOX (0.43) MAP2CSNK2A1S1PR1S1PR3PPOX
SCHEMBL9769709 0.70 RORC (0.48) RORCMET
SCHEMBL19088281 0.69 CSNK2A1 (0.44) MAP2CSNK2A1S1PR1S1PR3PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58079961-A None JP disclosed
US-5030761-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-09 US disclosed
US-4622063-A 4-(2-fluoro-4-halo-5-substituted phenyl)urazols, and herbicidal use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-11-11 US disclosed
US-4593094-A INTERMEDIATES FOR HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-03 US disclosed
US-4579688-A USING PHENYL ISOCYANATE CHEMICAL INTERMEDIATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-04-01 US disclosed
EP-0075267-B1 4-(2-FLUORO-4-HALO-5-SUBSTITUTED PHENYL)URAZOLS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-15 EP disclosed
EP-0070389-B1 2-(2-FLUORO-4-HALO-5-SUBSTITUTED PHENYL) HYDANTOINS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-10-02 EP disclosed
EP-0061741-B1 TETRAHYDROPHTHALIMIDES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-18 EP disclosed
US-4452981-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-06-05 US disclosed
US-4437877-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4431822-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-02-14 US disclosed
US-4427438-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-01-24 US disclosed
JP-S5879961-A O-FLUOROANILINE DERIVATIVE AND ITS PREPARATION SUMITOMO CHEM CO LTD 1983-05-13 JP disclosed