SCHEMBL10947869

SCHEMBL10947869

COP(C)(=O)CSc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ FFAR1 O14842 3/20 0.41
▸ LMNA P02545 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CCR6 P51684 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A4 P31645 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
SCHEMBL10948522 0.92 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10956361 0.90 TDP1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10946835 0.86 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10950843 0.84 TDP1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10943260 0.84 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10966754 0.82 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11348077 0.82 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10951733 0.82 MEN1 (0.45) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10963114 0.81 TDP1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10951944 0.81 TDP1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4556520-A HERBICIDES, INSECTICIDES ZOECON CORPORATION (US) 1985-12-03 — — US disclosed
US-4536355-A Phenoxyphenylaminoalkylphosphinates useful in weed control ZOECON CORPORATION (US) 1985-08-20 — — US disclosed
US-4456464-A Phenoxy- and pyridyloxy-phenoxyalkyl phosphinates and related sulfur compounds for weed control ZOECON CORPORATION (US) 1984-06-26 — — US disclosed
EP-0078536-A2 Phosphinates and phosphonates and their use in the control of weeds SANDOZ AG (CH) 1983-05-11 — — EP disclosed
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