SCHEMBL4620387

SCHEMBL4620387

O=C(C1CC1)n1ccc2c[c]ccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.41
TFPI2 P48307 8/20 0.41
NPY4R P50391 1/20 0.41
GRIN2B Q13224 1/20 0.36
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
NOTUM Q6P988 1/20 0.33
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL31435509 0.77 TFPI2 (0.58) ELANETFPI2NPY4RNOTUMTSHR
SCHEMBL6089590 0.77 NOTUM (0.58) TFPI2NPY4RNOTUMTSHRRAB9A
SCHEMBL7024843 0.77 TFPI2 (0.58) ELANETFPI2NPY4RNOTUMTSHR
SCHEMBL6230903 0.73 NOTUM (0.38) NOTUMTSHRRAB9AL3MBTL1
SCHEMBL15515985 0.73 NOTUM (0.34) NOTUMTSHRRAB9AL3MBTL1
SCHEMBL14220747 0.72 TFPI2 (0.62) ELANETFPI2NPY4RTSHRRAB9A
SCHEMBL4622821 0.72 RAB9A (0.66) TFPI2NPY4RNOTUMTSHRRAB9A
SCHEMBL1206513 0.70 BUB1 (0.39) NOTUML3MBTL1
SCHEMBL25382918 0.69 TFPI2 (0.43) ELANETFPI2NPY4RGRIN2B
SCHEMBL14663394 0.68 OPRM1 (0.39)

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-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 EP claimed
EP-1900728-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-03-19 EP claimed
EP-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 EP disclosed
EP-1900728-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-03-19 EP disclosed