SCHEMBL6469936

SCHEMBL6469936

O=C(OCc1ccccc1Cl)n1cccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.52
SENP8 Q96LD8 3/20 0.52
SENP7 Q9BQF6 3/20 0.52
SENP6 Q9GZR1 3/20 0.52
POLB P06746 1/20 0.49
MAPT P10636 4/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLAU P00749 2/20 0.43
ELANE P08246 2/20 0.43
F2 P00734 1/20 0.43
KLKB1 P03952 1/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4B Q07343 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL15500843 0.79 L3MBTL1 (0.48) POLBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11181964 0.76 CASP3 (0.48) CASP3SENP8SENP7SENP6POLB
SCHEMBL27606214 0.75 ELANE (0.50) POLBMAPTALDH1A1PLAUELANE
SCHEMBL9375354 0.73 L3MBTL1 (0.54) CASP3SENP8SENP7SENP6POLB
SCHEMBL9815841 0.72 L3MBTL1 (0.57) CASP3SENP8SENP7SENP6POLB
SCHEMBL984297 0.72 L3MBTL1 (0.57) CASP3SENP8SENP7SENP6POLB
SCHEMBL6003824 0.72 MGLL (0.43) CASP3SENP8SENP7SENP6POLB
SCHEMBL6002581 0.72 MGLL (0.41) CASP3SENP8SENP7SENP6POLB
SCHEMBL6002576 0.72 RAB9A (0.49) POLBMAPTALDH1A1HTTL3MBTL1
SCHEMBL6004192 0.72 KMT2A (0.58) CASP3SENP8SENP7SENP6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603897-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2005-12-14 EP disclosed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 WO disclosed