SCHEMBL11107822

SCHEMBL11107822

Cc1c(F)c(N)c(Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ TTR P02766 1/20 0.47
▸ PPOX P50336 1/20 0.47
▸ DTYMK P23919 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TSHR P16473 3/20 0.39
▸ AKR1C3 P42330 3/20 0.38
▸ AKR1C2 P52895 3/20 0.38
▸ AKR1B10 O60218 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ AKR1C4 P17516 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
SCHEMBL9120594 0.89 MEN1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL31118239 0.84 MEN1 (0.55) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11301759 0.84 MEN1 (0.44) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11190333 0.80 TDP1 (0.43) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11810710 0.79 MEN1 (0.44) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10430085 0.79 TDP1 (0.43) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11213666 0.78 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10658377 0.78 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10495360 0.77 TDP1 (0.41) TDP1MEN1KMT2ATTRPPOX
SCHEMBL3892796 0.77 TDP1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435588-A 2'-CHLORO-4'-TRIFLUOROMETHYL-PHENOXY-3-BENZOATE DERIVATIVES GAF CORPORATION (US) 1984-03-06 — — US disclosed
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