SCHEMBL10344875

SCHEMBL10344875

CCOC(=O)Cc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
TTR P02766 1/20 0.63
PPOX P50336 1/20 0.63
FFAR1 O14842 3/20 0.46
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
HTR2A P28223 3/20 0.40
SLC6A4 P31645 3/20 0.40
KCNH2 Q12809 3/20 0.40

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
SCHEMBL10511676 0.96 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10509736 0.95 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10511625 0.92 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10508987 0.91 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10526260 0.91 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10510570 0.91 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10511407 0.90 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10510501 0.90 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10510494 0.90 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10507665 0.90 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
EP-0192111-A1 Iso-ureas, processes for their production and their use as herbicides BASF Aktiengesellschaft (DE) 1986-08-27 EP disclosed
EP-0115808-B1 CYCLOHEXAN-1,3-DIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1986-08-20 EP disclosed
EP-0170203-A2 4H-Pyrido(2,3-d)(1,3)oxazin-4-one derivatives, process for their preparation, and their use for combating undesired vegetation BASF Aktiengesellschaft (DE) 1986-02-05 EP disclosed
EP-0115808-A1 Cyclohexan-1,3-dione derivatives, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1984-08-15 EP disclosed
EP-0084665-A1 Thiadiazole derivatives, process for their preparation, and their use in combatting unwanted plant growth BASF Aktiengesellschaft (DE) 1983-08-03 EP disclosed
EP-0051155-A1 Use of 2-aryloxy-2-azolylalkanecarbonic amides as herbicides and herbicides containing these amides BASF Aktiengesellschaft (DE) 1982-05-12 EP disclosed
EP-0037925-A1 Substituted pyridazinones, process for their preparation, herbicides containing them and their use as herbicides BASF Aktiengesellschaft (DE) 1981-10-21 EP disclosed