SCHEMBL5991889

SCHEMBL5991889

O=Cc1ccc(Cl)cc1Oc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ HTR2C P28335 3/20 0.45
▸ HTR2B P41595 3/20 0.45
▸ SCN8A Q9UQD0 2/20 0.43
▸ SCN10A Q9Y5Y9 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HTR2A P28223 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EPAS1 Q99814 1/20 0.40
▸ PTGER4 P35408 1/20 0.40

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
SCHEMBL19563733 0.87 EPAS1 (0.49) LMNAKMT2AGAATDP1ALDH1A1
SCHEMBL6142665 0.86 LMNA (0.52) LMNAKMT2AGAATDP1ALDH1A1
SCHEMBL5989078 0.84 HTR2A (0.52) LMNAKMT2AGAATDP1ALDH1A1
SCHEMBL20536242 0.83 LMNA (0.62) LMNAKMT2AGAATDP1ALDH1A1
SCHEMBL5989471 0.83 LMNA (0.42) LMNAKMT2AGAATDP1CYP1A2
SCHEMBL19563651 0.82 LMNA (0.43) LMNAKMT2AGAATDP1ALDH1A1
SCHEMBL18570512 0.81 TTR (0.48) LMNATDP1SCN8ASCN10ASLC6A4
SCHEMBL5991434 0.81 SCN8A (0.45) KMT2ATDP1ALDH1A1SCN8ASCN10A
SCHEMBL19524136 0.81 LMNA (0.46) LMNAKMT2AGAATDP1ALDH1A1
SCHEMBL20535203 0.81 HTR2A (0.51) TDP1ALDH1A1HTR2ASLC6A4KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 — — EP disclosed
EP-2953931-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2017-03-01 — — EP disclosed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 — — US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 — — EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 — — WO disclosed
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