SCHEMBL9775689

SCHEMBL9775689

CC(C)Oc1cccc(Nc2ccc(Cl)cc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
PLAU P00749 1/20 0.41
USP36 Q9P275 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
P2RX3 P56373 1/20 0.40
SYK P43405 2/20 0.40
DHODH Q02127 2/20 0.39
NR4A2 P43354 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL9775694 0.84 NPC1 (0.62) LMNASMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL18434217 0.74 L3MBTL1 (0.54) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL105734 0.72 OGG1 (0.57) CNR1HPGDMEN1KMT2AUSP36
SCHEMBL10653797 0.71 CNR1 (0.48) CNR1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL22864084 0.71 MAPK14 (0.59) SMN1; SMN2NPC1RAB9AMEN1GFER
SCHEMBL4113053 0.70 CNR1 (0.70) CNR1LMNASMN1; SMN2NPC1RAB9A
Chloromethane SCHEMBL27541396 0.70 OGG1 (0.56) CNR1HPGDMEN1KMT2AUSP36
SCHEMBL2372740 0.70 GAA (0.53) CNR1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4105980 0.69 CNR1 (0.85) CNR1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1417125 0.69 CA2 (0.49) CNR1LMNASMN1; SMN2NPC1RAB9A

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