SCHEMBL9338211

SCHEMBL9338211

O=C(OCc1cnccn1)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ TTR P02766 1/20 0.62
▸ PPOX P50336 1/20 0.62
▸ FFAR1 O14842 2/20 0.41
▸ LMNA P02545 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MRGPRX4 Q96LA9 5/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL9342558 0.90 TDP1 (0.59) KMT2ATDP1MEN1TTRPPOX
SCHEMBL9338038 0.89 TDP1 (0.64) KMT2ATDP1MEN1TTRPPOX
SCHEMBL9342207 0.89 TDP1 (0.64) KMT2ATDP1MEN1TTRPPOX
SCHEMBL9339866 0.86 TDP1 (0.67) KMT2ATDP1MEN1TTRPPOX
SCHEMBL9338113 0.85 MEN1 (0.66) KMT2ATDP1MEN1TTRPPOX
SCHEMBL9338642 0.85 TDP1 (0.62) KMT2ATDP1MEN1TTRPPOX
SCHEMBL9339911 0.85 TDP1 (0.62) KMT2ATDP1MEN1TTRPPOX
SCHEMBL9342475 0.85 TDP1 (0.62) KMT2ATDP1MEN1TTRPPOX
SCHEMBL9338585 0.84 TDP1 (0.64) KMT2ATDP1MEN1TTRPPOX
SCHEMBL9339884 0.84 TDP1 (0.64) KMT2ATDP1MEN1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5290756-A Herbicides ROHM AND HAAS COMPANY (US) 1994-03-01 — — US disclosed
US-4877897-A HERBICIDES ROHM AND HAAS COMPANY (US) 1989-10-31 — — US disclosed
EP-0021692-A1 Novel substituted nitrodiphenyl ethers, herbicidal compositions containing them and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1981-01-07 — — EP disclosed
Send feedback