SCHEMBL9342478

SCHEMBL9342478

O=C(OCCc1ccccc1)c1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ MAPT P10636 5/20 0.50
▸ LMNA P02545 6/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ HPGD P15428 3/20 0.46
▸ CCR6 P51684 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ PYGL P06737 1/20 0.44
▸ AKR1B1 P15121 1/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43

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
SCHEMBL10831780 0.84 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11116937 0.84 TDP1 (0.72) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10648910 0.84 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10499965 0.83 TDP1 (0.77) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11364733 0.82 TDP1 (0.72) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10786867 0.81 TDP1 (0.81) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10650691 0.81 TDP1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10655496 0.81 TDP1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10500001 0.81 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10791384 0.81 TDP1 (0.63) 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-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
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