SCHEMBL11213666

SCHEMBL11213666

COC(=O)c1cc(Oc2c(F)c(F)c(C)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.57
▸ MAPT P10636 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TTR P02766 1/20 0.41
▸ PPOX P50336 1/20 0.41
▸ WDR5 P61964 2/20 0.39
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FLT1 P17948 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
SCHEMBL11114839 0.89 TDP1 (0.45) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL11266141 0.89 TDP1 (0.45) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL11190333 0.89 TDP1 (0.43) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL9120594 0.89 MEN1 (0.52) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL10430085 0.88 TDP1 (0.43) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL31118353 0.86 TDP1 (0.60) TDP1MAPTPOLBSIRT6MEN1
SCHEMBL10495360 0.86 TDP1 (0.41) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL10877259 0.85 ALDH1A1 (0.42) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL8923180 0.85 SCN9A (0.43) TDP1MAPTMEN1KMT2ATTR
SCHEMBL11272565 0.84 TDP1 (0.41) TDP1MAPTPOLBMEN1KMT2A

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
EP-0019388-B1 PREPARATION OF TRIFLUOROMETHYL-SUBSTITUTED PHENOLS AND PHENATES AND THE PREPARATION, FROM THESE PHENOLS AND PHENATES, OF NITRO- AND TRIFLUOROMETHYL-SUBSTITUTED DIPHENYL ETHERS ROHM AND HAAS COMPANY (US) 1983-03-23 — — EP disclosed
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