SCHEMBL10508092

SCHEMBL10508092

COc1ccc(SC(=O)Cc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
TTR P02766 1/20 0.59
PPOX P50336 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 5/20 0.46
FFAR1 O14842 5/20 0.43
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
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
SCHEMBL10509788 0.93 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10507889 0.93 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10511461 0.86 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11361554 0.86 TDP1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10509904 0.85 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10511287 0.85 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10510938 0.84 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10509527 0.84 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10511444 0.84 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10511268 0.83 MEN1 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161529-B1 2-NITRO-5-(2'-CHLORO-4'TRIFLUOROMETHYLPHENOXY)PHENYLACETIC ESTER, THIOESTER AND AMIDE, PROCESS FOR PREPARATION THEROF, HERBICIDAL COMPOSITION, AND METHOD FOR DESTRUCTION OF UNDESIRABLE WEEDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-07-12 EP disclosed
US-4698094-A 2-nitro-5-(2'chloro-4'trifluoromethylphenoxy)-phenylacetic esters, herbicidal composition, and method for destruction of undesirable weeds ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-10-06 US disclosed
EP-0161529-A2 2-nitro-5-(2'-chloro-4'trifluoromethylphenoxy)phenylacetic ester, thioester and amide, process for preparation therof, herbicidal composition, and method for destruction of undesirable weeds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-11-21 EP disclosed