SCHEMBL8684154

SCHEMBL8684154

Cc1oncc1C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
DHODH Q02127 3/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP2C19 P33261 2/20 0.55
GMNN O75496 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
THRB P10828 1/20 0.55
PIM1 P11309 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAOA P21397 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55
AGTR1 P30556 1/20 0.55
CCKBR P32239 1/20 0.55
MC4R P32245 1/20 0.55

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
SCHEMBL9115306 0.86 SMN1; SMN2 (0.55) RAB9ADHODHNPC1SMN1; SMN2CYP2C19
SCHEMBL8491182 0.85 RAB9A (0.45) RAB9ADHODHNPC1SMN1; SMN2CYP2C19
SCHEMBL8494741 0.85 SMN1; SMN2 (0.54) RAB9ADHODHNPC1SMN1; SMN2CYP2C19
SCHEMBL8492916 0.82 NPC1 (0.43) RAB9ADHODHNPC1SMN1; SMN2CYP2C19
SCHEMBL8492565 0.82 NPC1 (0.51) RAB9ADHODHNPC1SMN1; SMN2CYP2C19
SCHEMBL8491913 0.82 RAB9A (0.43) RAB9ADHODHNPC1SMN1; SMN2CYP2C19
SCHEMBL8489376 0.82 LMNA (0.49) RAB9ADHODHNPC1SMN1; SMN2CYP2C19
SCHEMBL8494851 0.82 DHODH (0.53) RAB9ADHODHNPC1SMN1; SMN2CYP2C19
SCHEMBL9114519 0.80 DHODH (0.64) RAB9ADHODHNPC1SMN1; SMN2CYP2C19
SCHEMBL8491690 0.77 CES2 (0.54) RAB9ANPC1CYP2C19LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037058-C Herbicide composition and use thereof RHONE POULENC AGRICULTURE (GB) 1998-01-21 CN claimed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US claimed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP claimed
CN-1050188-A ISOXAZOLES HERBICIDES RHONE POULENC AGRICULTURE (GB) 1991-03-27 CN claimed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP claimed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
CN-1037058-C Herbicide composition and use thereof RHONE POULENC AGRICULTURE (GB) 1998-01-21 CN disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed