SCHEMBL7104339

SCHEMBL7104339

COC(=O)Oc1[nH]nc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.37
PDE4D Q08499 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
AR P10275 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
CCR6 P51684 1/20 0.33
LMNA P02545 2/20 0.33
CYP2C19 P33261 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8079176 0.78 LRRK2 (0.32) GAAALDH1A1HPGD
SCHEMBL14193495 0.72
SCHEMBL7902863 0.68 KDM4C (0.53) DYRK1APDE4DL3MBTL1ARGAA
SCHEMBL11262568 0.68 KDM4E (0.32) MAPTHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL19212313 0.67 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL17979462 0.67
SCHEMBL9852813 0.65 NPSR1 (0.34) GAAPKMHSD17B10ALDH1A1KDM4E
SCHEMBL20310207 0.65 LMNA (0.41) DYRK1AL3MBTL1LMNACYP2C19MAPT
SCHEMBL11112731 0.65 KDM4E (0.33) MAPK1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL8090576 0.65 KDM4C (0.45) L3MBTL1ARGAALMNAMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091940-B1 METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS BAYER AG (DE) 2003-09-10 EP disclosed
EP-0854142-B1 Process for the preparation of 1-alkylpyrazole-5-carboxylic esters BAYER AG (DE) 2002-09-18 EP disclosed
EP-1091940-A1 METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS Bayer Aktiengesellschaft (DE) 2001-04-18 EP disclosed
WO-2000001673-A2 METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 2000-01-13 WO disclosed
EP-0854142-A1 Process for the preparation of 1-alkylpyrazole-5-carboxylic esters BAYER AG (DE) 1998-07-22 EP disclosed