SCHEMBL8489376

SCHEMBL8489376

Cc1oncc1C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
DHODH Q02127 2/20 0.49
GMNN O75496 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
THRB P10828 1/20 0.49
PIM1 P11309 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAOA P21397 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
AGTR1 P30556 1/20 0.49
CCKBR P32239 1/20 0.49
MC4R P32245 1/20 0.49

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
SCHEMBL8684154 0.82 RAB9A (0.55) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL8491182 0.81 RAB9A (0.45) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL8488832 0.79 DHODH (0.46) LMNASMN1; SMN2DHODHCYP2C9SLC6A2
SCHEMBL746794 0.79 LMNA (0.64) LMNASMN1; SMN2CNR2GAACTNNB1
SCHEMBL27969576 0.79 LMNA (0.50) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL11319571 0.78 RAB9A (0.48) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL29625262 0.78 SMN1; SMN2 (0.61) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL19034 0.78 SMN1; SMN2 (0.61) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL8491913 0.78 RAB9A (0.43) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL8492916 0.78 NPC1 (0.43) LMNANPC1RAB9ASMN1; SMN2HTT

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
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-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
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
CN-1141294-A Method for prepn. of isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1997-01-29 CN 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