SCHEMBL6201897

SCHEMBL6201897

O=C(O)C=C(c1ccccc1)n1ncc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
SLC22A12 Q96S37 1/20 0.48
TFPI2 P48307 1/20 0.45
ASAH1 Q13510 2/20 0.44
KMO O15229 1/20 0.43
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
PKM P14618 1/20 0.38
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 4/20 0.36
MGAM O43451 1/20 0.36
F2 P00734 1/20 0.36
AMY1A P0DUB6 1/20 0.36
SI P14410 1/20 0.36
HPGD P15428 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
SCHEMBL496975 0.79 ELANE (0.70) ELANESLC22A12TFPI2ASAH1KMO
SCHEMBL29238955 0.78 ELANE (0.68) ELANESLC22A12TFPI2ASAH1KMO
SCHEMBL260982 0.77 SLC22A12 (0.54) ELANESLC22A12TFPI2ASAH1KMO
Hydrochloric Acid SCHEMBL30581596 0.75 SLC22A12 (0.53) ELANESLC22A12TFPI2ASAH1KMO
SCHEMBL4423022 0.75 SLC22A12 (0.55) ELANESLC22A12TFPI2ASAH1KMO
SCHEMBL2025416 0.72 SLC22A12 (0.56) ELANESLC22A12TFPI2ASAH1KMO
SCHEMBL1087434 0.72 CHEK1 (0.60) ELANESLC22A12TFPI2ASAH1KMO
Indazole Carboxamide SCHEMBL42505 0.72 SLC22A12 (0.53) ELANESLC22A12TFPI2ASAH1KMO
SCHEMBL300192 0.71 TFPI2 (0.49) ELANESLC22A12TFPI2ASAH1KMO
Indazole Carboxamide SCHEMBL15638369 0.70 SLC22A12 (0.51) ELANESLC22A12TFPI2ASAH1KMO

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-1444207-A2 SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP claimed
WO-2003024935-A2 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 WO claimed
EP-1501805-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2005-02-02 EP disclosed
WO-2003095430-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-11-20 WO disclosed