SCHEMBL9338642

SCHEMBL9338642

O=C(OCc1cscn1)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ TTR P02766 1/20 0.62
▸ PPOX P50336 1/20 0.62
▸ FFAR1 O14842 3/20 0.41
▸ MRGPRX4 Q96LA9 6/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PYGL P06737 1/20 0.37
▸ HPGD P15428 1/20 0.36

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
SCHEMBL9342207 0.86 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9338038 0.86 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9338211 0.85 KMT2A (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9342475 0.85 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11385618 0.85 TDP1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9339866 0.84 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10499965 0.84 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9339911 0.83 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9338206 0.83 KMT2A (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9337709 0.83 MEN1 (0.62) TDP1MEN1KMT2ATTRPPOX

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
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