SCHEMBL5776553

SCHEMBL5776553

O=C(O)C(=CNC1CC1)C(=O)c1cc(F)c(F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
GAA P10253 1/20 0.45
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
PYGL P06737 1/20 0.33

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
SCHEMBL10575701 1.00 HPGD (0.54) HPGDSMN1; SMN2NPC1RAB9AGAA
SCHEMBL10883759 0.93 HPGD (0.46) HPGDSMN1; SMN2NPC1RAB9AGAA
SCHEMBL10883764 0.93 HPGD (0.46) HPGDSMN1; SMN2NPC1RAB9AGAA
SCHEMBL10843040 0.87 HPGD (0.40) HPGDSMN1; SMN2NPC1RAB9AGAA
SCHEMBL9589970 0.87 HPGD (0.40) HPGDSMN1; SMN2NPC1RAB9AGAA
SCHEMBL9589976 0.87 HPGD (0.40) HPGDSMN1; SMN2NPC1RAB9AGAA
SCHEMBL10594984 0.86 HPGD (0.50) HPGDSMN1; SMN2NPC1RAB9AGAA
SCHEMBL9875263 0.86 HPGD (0.50) HPGDSMN1; SMN2NPC1RAB9AGAA
SCHEMBL9491280 0.86 HPGD (0.50) HPGDSMN1; SMN2NPC1RAB9AGAA
SCHEMBL5779087 0.83 KEAP1 (0.49) HPGDSMN1; SMN2NPC1RAB9AGAA

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 4 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
US-4833270-A Process for preparing 2-chloro-4,5-difluorobenzoic acid AMERICAN CYANAMID COMPANY (US) 1989-05-23 US disclosed