SCHEMBL9113347

SCHEMBL9113347

[CH2]CC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 3/20 0.57
ALDH1A1 P00352 2/20 0.54
HPGD P15428 3/20 0.47
AKR1B1 P15121 1/20 0.43
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ERCC5 P28715 2/20 0.39
JAK2 O60674 1/20 0.39
CYP3A4 P08684 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
TSHR P16473 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL27926380 0.83 FEN1 (0.53) FEN1ALDH1A1HPGDAKR1B1NPC1
SCHEMBL27521668 0.82 ALDH1A1 (0.41) FEN1ALDH1A1HPGDAKR1B1NPC1
SCHEMBL12431212 0.79 FEN1 (0.59) FEN1ALDH1A1HPGDAKR1B1NPC1
SCHEMBL3138030 0.77 FEN1 (0.57) FEN1ALDH1A1HPGDAKR1B1NPC1
SCHEMBL8239577 0.77 FEN1 (0.57) FEN1ALDH1A1HPGDAKR1B1NPC1
SCHEMBL169401 0.77 FEN1 (0.57) FEN1ALDH1A1HPGDAKR1B1NPC1
SCHEMBL4869850 0.77 FEN1 (0.57) FEN1ALDH1A1HPGDAKR1B1NPC1
SCHEMBL27946190 0.77 ALDH1A1 (0.56) FEN1ALDH1A1HPGDAKR1B1NPC1
SCHEMBL28166467 0.76 FEN1 (0.71) FEN1ALDH1A1HPGDAKR1B1KMT2A
SCHEMBL5546213 0.76 ERCC5 (0.58) FEN1ALDH1A1HPGDNPC1KMT2A

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
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed