SCHEMBL28294857

SCHEMBL28294857

Nc1ccc(C(=O)c2ccccc2C(=O)c2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.49
▸ GAA P10253 4/20 0.48
▸ GLA P06280 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ RORB Q92753 2/20 0.48
▸ RORC P51449 1/20 0.48
▸ CES2 O00748 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ CNR2 P34972 2/20 0.41
▸ UCHL1 P09936 1/20 0.41
▸ MAPK14 Q16539 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ PTPN1 P18031 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
SCHEMBL7182044 0.93 GAA (0.55) PTGS1GAAGLAPOLBTSHR
SCHEMBL27980465 0.89 GAA (0.50) PTGS1GAAGLAPOLBTSHR
SCHEMBL27194863 0.84 GAA (0.50) PTGS1GAAGLAPOLBTSHR
SCHEMBL6653638 0.83 RORB (0.55) PTGS1GAARORBRORCLMNA
SCHEMBL7189817 0.83 GAA (0.48) PTGS1GAAGLAPOLBTSHR
SCHEMBL31457337 0.83 GAA (0.48) PTGS1GAAGLAPOLBTSHR
SCHEMBL7195432 0.82 PBRM1 (0.53) PTGS1GAAGLAPOLBTSHR
SCHEMBL696299 0.82 ALDH1A1 (0.57) PTGS1GAAGLAPOLBTSHR
SCHEMBL29451106 0.82 ALDH1A1 (0.57) PTGS1GAAGLAPOLBTSHR
SCHEMBL3782361 0.80 GAA (0.53) PTGS1GAAGLAPOLBTSHR

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
CN-109755582-A Lithium ion cell positive polyimide binder and the preparation method and application thereof 华南理工大学 2019-05-14 — — CN disclosed
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