SCHEMBL9511912

SCHEMBL9511912

COCCC(C)(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
TTR P02766 1/20 0.60
PPOX P50336 1/20 0.60
FFAR1 O14842 5/20 0.45
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PPARG P37231 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL9511905 1.00 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9372509 0.85 TDP1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9511899 0.81 TDP1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9438374 0.81 TDP1 (0.63) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11745283 0.80 KMT2A (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11740971 0.80 KMT2A (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11049633 0.80 TDP1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10950688 0.80 TDP1 (0.63) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10616508 0.79 TDP1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10949244 0.79 MEN1 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565593-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1993-10-20 EP disclosed
EP-0562015-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1993-09-29 EP disclosed
US-4739093-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1988-04-19 US disclosed
US-4734119-A Novel phosphorus compounds for protecting cultivated plants from the phytotoxic action of herbicides CIBA-GEIGY CORPORATION (US) 1988-03-29 US disclosed