SCHEMBL5779087

SCHEMBL5779087

O=C(O)/C(=C/NC1CC1)C(=O)c1cc(F)c(Cl)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
HPGD P15428 2/20 0.38
ACKR3 P25106 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
ROCK2 O75116 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL5779089 1.00 KEAP1 (0.49) KEAP1NFE2L2HPGDACKR3NPC1
SCHEMBL5256945 0.84 KEAP1 (0.40) KEAP1NFE2L2HPGDACKR3GAA
SCHEMBL5256943 0.84 KEAP1 (0.40) KEAP1NFE2L2HPGDACKR3GAA
SCHEMBL10551035 0.84 KEAP1 (0.40) KEAP1NFE2L2HPGDACKR3GAA
SCHEMBL5776553 0.83 HPGD (0.54) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL10575701 0.83 HPGD (0.54) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL10883759 0.82 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL10883764 0.82 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL9589970 0.81 HPGD (0.40) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL9589976 0.81 HPGD (0.40) HPGDNPC1RAB9ASMN1; SMN2GAA

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-1572657-A4 PROCESSES FOR PREPARING QUINOLONECARBOXYLATE DERIVATIVES YUHAN CORP (KR) 2006-03-01 EP disclosed
EP-1572657-A1 PROCESSES FOR PREPARING QUINOLONECARBOXYLATE DERIVATIVES Yuhan Corporation (KR) 2005-09-14 EP disclosed
WO-2004056781-A1 PROCESSES FOR PREPARING QUINOLONECARBOXYLATE DERIVATIVES YUHAN CORPORATION (KR) 2004-07-08 WO disclosed