SCHEMBL4668149

SCHEMBL4668149

O=C(c1nc2c(-c3ccccc3)cccc2[nH]1)S(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.60
CNR1 P21554 1/20 0.54
DHODH Q02127 5/20 0.45
PARP1 P09874 2/20 0.42
NPY5R Q15761 1/20 0.39

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
SCHEMBL16278 0.79 L3MBTL1 (0.55) CNR2CNR1DHODHPARP1NPY5R
SCHEMBL6675098 0.79 L3MBTL1 (0.55) CNR2CNR1DHODHPARP1NPY5R
SCHEMBL1580272 0.74 CNR2 (0.46) CNR2CNR1DHODHPARP1NPY5R
SCHEMBL1170898 0.73 DHODH (0.54) CNR2CNR1DHODHPARP1
SCHEMBL7056322 0.73 L3MBTL1 (0.54) CNR2CNR1DHODHPARP1
SCHEMBL17435316 0.72 CNR2 (0.45) CNR2CNR1DHODHPARP1NPY5R
SCHEMBL15447 0.72 CNR2 (0.45) CNR2CNR1DHODHPARP1NPY5R
Potassium Ion SCHEMBL15525 0.72 CNR2 (0.45) CNR2CNR1DHODHPARP1NPY5R
SCHEMBL31027957 0.72 DHODH (0.59) CNR2DHODHPARP1
Trolamine SCHEMBL8056127 0.71 L3MBTL1 (0.46) CNR2CNR1DHODHPARP1NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613300-B1 PHOTOSTABILIZED TOPICAL FORMULATIONS OF KETOPROFEN CONTAINING TWO UV FILTERS BERLIN CHEMIE AG (DE) 2008-12-10 EP claimed
EP-1613300-A2 PHOTOSTABILIZED TOPICAL FORMULATIONS OF KETOPROFEN CONTAINING TWO UV FILTERS BERLIN-CHEMIE AG (DE) 2006-01-11 EP claimed
WO-2004082580-A2 PHOTOSTABILIZED TOPICAL FORMULATIONS OF KETOPROFEN CONTAINING TWO UV FILTERS BERLIN-CHEMIE AKTIENGESELLSCHAFT (DE) 2004-09-30 WO claimed
EP-1613300-B1 PHOTOSTABILIZED TOPICAL FORMULATIONS OF KETOPROFEN CONTAINING TWO UV FILTERS BERLIN CHEMIE AG (DE) 2008-12-10 EP disclosed
EP-1613300-A2 PHOTOSTABILIZED TOPICAL FORMULATIONS OF KETOPROFEN CONTAINING TWO UV FILTERS BERLIN-CHEMIE AG (DE) 2006-01-11 EP disclosed
WO-2004082580-A2 PHOTOSTABILIZED TOPICAL FORMULATIONS OF KETOPROFEN CONTAINING TWO UV FILTERS BERLIN-CHEMIE AKTIENGESELLSCHAFT (DE) 2004-09-30 WO disclosed