SCHEMBL9512780

SCHEMBL9512780

O=C(O)c1cccc(Oc2ccccc2C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ TAS2R14 Q9NYV8 2/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ ENPP2 Q13822 3/20 0.42
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RBP4 P02753 2/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ AKR1B1 P15121 1/20 0.40
▸ AKR1C4 P17516 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL28075340 0.88 EPAS1 (0.51) MAPTTDP1EPAS1MRGPRX4TAS2R14
SCHEMBL5195327 0.82 TSHR (0.47) MAPTEPAS1TAS2R14HTTLMNA
SCHEMBL9139074 0.82 HTT (0.57) MAPTTDP1MRGPRX4TAS2R14RXRA
SCHEMBL29088055 0.80 MRGPRX4 (0.46) MRGPRX4TAS2R14RXRARXRBRXRG
SCHEMBL4750504 0.80 HPSE (0.56) MAPTTDP1HTTLMNATSHR
SCHEMBL9718761 0.80 HPSE (0.56) MAPTTDP1HTTLMNATSHR
SCHEMBL11092742 0.79 HPGD (0.56) HTTLMNATSHR
SCHEMBL3772332 0.79 AKR1C3 (0.45) MAPTTDP1RXRARXRBRXRG
SCHEMBL2143230 0.78 HPD (0.45) MAPTHTTLMNAAKR1B1AKR1C4
SCHEMBL30539397 0.78 TDP1 (0.64) MAPTTDP1MRGPRX4LMNAAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562015-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1993-09-29 — — EP disclosed
Send feedback