SCHEMBL27940752

SCHEMBL27940752

CC(=O)OCCc1ncc2ccccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
ALDH1A1 P00352 11/20 0.41
KDM4E B2RXH2 10/20 0.41
MAPT P10636 6/20 0.41
HPGD P15428 6/20 0.41
RAB9A P51151 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CHEK1 O14757 1/20 0.39
LIMK1 P53667 1/20 0.39
MAPK14 Q16539 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAD52 P43351 1/20 0.37
SLC18A3 Q16572 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL31530800 0.80 PDE10A (0.37) PDE10AALDH1A1KDM4EMAPTHPGD
SCHEMBL31295234 0.78 PDE10A (0.42) PDE10AALDH1A1KDM4EMAPTHPGD
SCHEMBL27816947 0.78 GGPS1 (0.48) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL9384535 0.76 TBXAS1 (0.55) PDE10AALDH1A1KDM4EMAPTHPGD
SCHEMBL3798563 0.72 KDM4E (0.47) PDE10AALDH1A1KDM4EMAPTHPGD
SCHEMBL24090159 0.72 KDM4E (0.50) PDE10AALDH1A1KDM4EMAPTHPGD
SCHEMBL10272042 0.72 KDM4E (0.50) PDE10AALDH1A1KDM4EMAPTHPGD
SCHEMBL25243301 0.72 PDE10A (0.46) PDE10AALDH1A1KDM4EMAPTHPGD
SCHEMBL24090169 0.71 KDM4E (0.49) PDE10AALDH1A1KDM4EMAPTHPGD
SCHEMBL20864246 0.69 KDM4E (0.50) PDE10AALDH1A1KDM4EMAPTHPGD

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-103373996-A Bicyclic derivatives serving as CRTH2 receptor antagonist Shandong henry medical science and technology co ltd 2013-10-30 CN disclosed