SCHEMBL6955349

SCHEMBL6955349

CCOC(=O)C(=Cc1ccc2c(CC)nn(C3CCCC3)c2c1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
GLO1 Q04760 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
CRHBP P24387 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
SCHEMBL6169272 0.82 SLC22A12 (0.38) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL6171090 0.81 SLC22A12 (0.38) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL3602527 0.80 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL6182637 0.79 ESR1 (0.40) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL27701283 0.79 ESR1 (0.39) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL7984087 0.76 PDK1 (0.40) MAPTMEN1KMT2ANPSR1MAPK1
SCHEMBL7983565 0.75 MEN1 (0.50) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3176719 0.74 TEAD1 (0.53) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL3604069 0.74 TEAD1 (0.43) MAPTPDE7APDE4APDE4BPDE4C
SCHEMBL3605146 0.74 MERTK (0.46) MAPTMEN1KMT2ALMNANPSR1

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-0912558-B1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE (PDE) TYPE IV AND TUMOR NECROSIS FACTOR (TNF) INHIBITORS PFIZER (US) 2003-07-09 EP disclosed
CN-1080260-C Substituted indazole derivatives and their use as phosphodiesterase (PDE) type IV and tumor necrosis factor (TNF) inhibitors PFIZER (US) 2002-03-06 CN disclosed
US-6040329-A Substituted indazole analogs PFIZER INC (US) 2000-03-21 US disclosed
CN-1223651-A Substituted indazole derivatives and their use as phosphodiesterase (PDE) type IV and tumor necrosis factor (TNF) inhibitors PFIZER (US) 1999-07-21 CN disclosed
EP-0912558-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE (PDE) TYPE IV AND TUMOR NECROSIS FACTOR (TNF) INHIBITORS PFIZER INC. (US) 1999-05-06 EP disclosed
WO-1997049702-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE (PDE) TYPE IV AND TUMOR NECROSIS FACTOR (TNF) INHIBITORS PFIZER INC. (US) 1997-12-31 WO disclosed