SCHEMBL9759505

SCHEMBL9759505

COCOC(=O)COCCNc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
TTR P02766 1/20 0.54
PPOX P50336 1/20 0.54
MAPT P10636 8/20 0.43
LMNA P02545 8/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FFAR1 O14842 2/20 0.40
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL9759562 0.93 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9759345 0.89 MEN1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9758975 0.89 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11017180 0.88 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9759130 0.88 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10782083 0.87 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10454657 0.85 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10787740 0.84 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10781844 0.84 KMT2A (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10781895 0.84 MEN1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028732-A Herbicidally active amino diphenyl ethers ROHM AND HAAS COMPANY (US) 1991-07-02 US disclosed
EP-0130041-B1 NOVEL HERBICIDAL SUBSTITUTED PYRIDYL PHENYL AND DIPHENYL ETHERS, HERBICIDAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THE PREPARATION THEREOF AND THE USE THEREOF FOR COMBATING WEEDS ROHM AND HAAS COMPANY (US) 1988-01-13 EP disclosed