SCHEMBL11709233

SCHEMBL11709233

CCCOC(=S)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.64
▸ MEN1 O00255 1/20 0.51
▸ TTR P02766 1/20 0.51
▸ PPOX P50336 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ S1PR4 O95977 3/20 0.44
▸ PDE7A Q13946 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PNLIP P16233 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 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
SCHEMBL10785919 0.92 TDP1 (0.66) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11671817 0.88 TDP1 (0.74) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10784996 0.86 TDP1 (0.77) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10495381 0.84 TDP1 (0.60) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11706585 0.83 TDP1 (0.66) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10789829 0.82 TDP1 (0.71) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9852597 0.82 TDP1 (0.78) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11672812 0.82 TDP1 (0.70) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11672622 0.81 TDP1 (0.69) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11672480 0.81 TDP1 (0.69) TDP1MEN1TTRPPOXKMT2A

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-4015975-A HERBICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 — — US claimed
US-4015975-A HERBICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 — — US disclosed
US-3953489-A HERBICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-04-27 — — US disclosed
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