SCHEMBL9863803

SCHEMBL9863803

O=C(O)C1C=CC=CC1(Oc1ccc(C(F)(F)F)cc1Cl)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
TTR P02766 1/20 0.44
PPOX P50336 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MRGPRX4 Q96LA9 13/20 0.39
FFAR1 O14842 5/20 0.38

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
SCHEMBL11109653 0.82 S1PR4 (0.37) MEN1KMT2ATDP1MRGPRX4
SCHEMBL10822592 0.81 MEN1 (0.35) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11126868 0.77
SCHEMBL9788468 0.72 MEN1 (0.33) MEN1KMT2A
SCHEMBL10500599 0.68 MEN1 (0.43) MEN1TTRPPOXKMT2ATDP1
SCHEMBL20506741 0.68 MEN1 (0.36) MEN1TTRPPOXKMT2ATDP1
SCHEMBL8113227 0.68 TDP1 (0.38) TTRTDP1MRGPRX4
SCHEMBL11126911 0.65 MEN1 (0.43) MEN1TTRPPOXKMT2ATDP1
SCHEMBL7828056 0.64
SCHEMBL27545237 0.63 FFAR1 (0.40) MRGPRX4FFAR1

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
US-5076830-A INDAN-1,3-DIONE DERIVATIVE AND HERBICIDAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1991-12-31 US disclosed
US-4435588-A 2'-CHLORO-4'-TRIFLUOROMETHYL-PHENOXY-3-BENZOATE DERIVATIVES GAF CORPORATION (US) 1984-03-06 US disclosed
EP-0017706-B1 N'-PHENYL-N-METHYLUREA DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USES AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-08-03 EP disclosed
EP-0022750-B1 1,3,4-THIADIAZOLYLOXY-PHENYL UREAS, THEIR PREPARATION AND HERBICIDES CONTAINING THEM CIBA-GEIGY AG (CH) 1983-05-18 EP disclosed
EP-0022750-A1 1,3,4-Thiadiazolyloxy-phenyl ureas, their preparation and herbicides containing them CIBA-GEIGY AG (CH) 1981-01-21 EP disclosed