SCHEMBL9830646

SCHEMBL9830646

O=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.75
LMNA P02545 1/20 0.75
KCNK3 O14649 2/20 0.55
KCNK9 Q9NPC2 2/20 0.55
PTGS1 P23219 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
KAT6A Q92794 2/20 0.53
PPIA P62937 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
PTPRC P08575 1/20 0.51
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
F2R P25116 1/20 0.49
RAB9A P51151 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
SCHEMBL6454315 0.91 KAT6A (0.65) GAALMNAKCNK3KCNK9PTGS1
SCHEMBL6450629 0.91 GAA (0.64) GAALMNAKCNK3KCNK9PTGS1
SCHEMBL6449862 0.89 GAA (0.62) GAALMNAKCNK3KCNK9PTGS1
SCHEMBL9831440 0.89 POLB (0.70) GAALMNAPTGS1RXFP1SMN1; SMN2
SCHEMBL3964208 0.86 LMNA (0.72) GAALMNAKCNK3KCNK9PTGS1
SCHEMBL30589555 0.86 GAA (0.62) GAALMNAKCNK3KCNK9PTGS1
SCHEMBL6449064 0.85 NPC1 (0.66) GAALMNASMN1; SMN2POLBRAB9A
SCHEMBL1267035 0.84 GAA (0.70) GAALMNAKCNK3KCNK9PTGS1
SCHEMBL6970453 0.84 LMNA (0.70) GAALMNAKCNK3KCNK9PTGS1
SCHEMBL15129266 0.84 LMNA (0.70) GAALMNAKCNK3KCNK9PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185256-B1 TRIAZOLE DERIVATES, THEIR PREPARATION AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1991-01-30 EP disclosed
US-4788210-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
EP-0185256-A2 Triazole derivates, their preparation and their use as pesticides CIBA-GEIGY AG (CH) 1986-06-25 EP disclosed