SCHEMBL7001833

SCHEMBL7001833

O=C(O)NC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
GAA P10253 1/20 0.68
PPIA P62937 1/20 0.56
KCNK3 O14649 2/20 0.55
KCNK9 Q9NPC2 2/20 0.55
PTGS1 P23219 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX12 P18054 1/20 0.51
TAS2R14 Q9NYV8 2/20 0.49
PTPRC P08575 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
F2R P25116 1/20 0.46

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
SCHEMBL27531979 0.84 LMNA (0.66) LMNAGAAPPIAKCNK3KCNK9
SCHEMBL961793 0.84 LMNA (0.66) LMNAGAAPPIAKCNK3KCNK9
SCHEMBL9830646 0.82 GAA (0.75) LMNAGAAPPIAKCNK3KCNK9
SCHEMBL3964208 0.81 LMNA (0.72) LMNAGAAPPIAKCNK3KCNK9
SCHEMBL3418660 0.81 LMNA (0.62) LMNAGAAPPIAKCNK3KCNK9
SCHEMBL15200658 0.81 LMNA (0.62) LMNAGAAPPIAKCNK3KCNK9
SCHEMBL5332281 0.80 KCNK3 (0.75) LMNAGAAKCNK3KCNK9PTGS1
Hydrochloric Acid SCHEMBL8393906 0.80 LMNA (0.60) LMNAGAAPPIAKCNK3KCNK9
SCHEMBL6970453 0.79 LMNA (0.70) LMNAGAAPPIAKCNK3KCNK9
SCHEMBL1267035 0.79 GAA (0.70) LMNAGAAPPIAKCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP claimed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US claimed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed