SCHEMBL5776783

SCHEMBL5776783

C=C(C(=O)O)N(C(=O)c1cc(F)c(F)cc1Cl)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
APEX1 P27695 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLAU P00749 1/20 0.32
ELANE P08246 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL5257676 0.81 GAA (0.40) HPGDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL28811550 0.75 HSD11B1 (0.39) HPGDSMN1; SMN2POLBGAATSHR
SCHEMBL2653140 0.67 ALDH1A1 (0.53) HPGDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL32668944 0.66 KEAP1 (0.55) HPGDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL979056 0.66 KEAP1 (0.55) HPGDSMN1; SMN2NPC1RAB9APOLB
Hydrochloric Acid SCHEMBL9488278 0.64 KEAP1 (0.53) HPGDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL8055152 0.63 POLB (0.55) HPGDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL5776553 0.63 HPGD (0.54) HPGDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL10575701 0.63 HPGD (0.54) HPGDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL3820327 0.62 POLB (0.53) HPGDSMN1; SMN2NPC1RAB9APOLB

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