SCHEMBL3705262

SCHEMBL3705262

O=[N+]([O-])c1cccc(COC(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.47
POLB P06746 1/20 0.47
FFAR1 O14842 1/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
F2 P00734 1/20 0.46
MEN1 O00255 1/20 0.46
TACR1 P25103 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL11214531 0.84 TSHR (0.56) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL5717162 0.81 TSHR (0.61) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL1767329 0.81 TSHR (0.65) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL29143227 0.80 IDO1 (0.59) TSHRMAOBALDH1A1POLBRAB9A
SCHEMBL791926 0.80 TSHR (0.62) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL6632275 0.79 MAOB (0.52) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL7554063 0.79 TSHR (0.54) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL402251 0.78 IDO1 (0.62) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL20337575 0.78 TSHR (0.61) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL9628070 0.78 TSHR (0.66) TSHRMAOBMAOALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323350-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2024-02-21 EP disclosed
WO-2022219407-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-10-20 WO disclosed
EP-2391603-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 WO disclosed