SCHEMBL9019880

SCHEMBL9019880

O=[N+]([O-])Cc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
RORC P51449 1/20 0.32
HSD11B1 P28845 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
NR1D1 P20393 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PTPN2 P17706 2/20 0.30
PTPN1 P18031 2/20 0.30
PTPN6 P29350 2/20 0.30
TGM2 P21980 1/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30
IDO1 P14902 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL28057460 0.84 FBP1 (0.47) FBP1MAOAMAOBNR1D1TAAR1
SCHEMBL9951459 0.79 KIF11 (0.50) FBP1MAOBTAAR1IDO1
SCHEMBL9322428 0.78 LOXL2 (0.42) CA1CA2CA9LOXL2IDO1
SCHEMBL2454131 0.76 MAPT (0.44) CA1CA2
SCHEMBL4973441 0.74 CA1 (0.56) CA1CA2CA5ACA9HSD11B1
SCHEMBL445417 0.74 CA1 (0.56) CA1CA2CA5ACA9HSD11B1
SCHEMBL18242747 0.73 TAAR1 (0.35) RORCMAOBTAAR1PTPN2PTPN1
SCHEMBL6818 0.73 KCNJ1 (0.43) FBP1MAOAMAOBLOXL2TAAR1
SCHEMBL25211439 0.72 DAO (0.44)
SCHEMBL18242285 0.69 TAAR1 (0.42) MAOBTAAR1PTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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