SCHEMBL7414619

SCHEMBL7414619

CCc1nn(CCCCCCOCCCCc2ccccc2)c2cc(C(=O)OC)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 4/20 0.46
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ HPGD P15428 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ EHMT2 Q96KQ7 1/20 0.42
▸ CYP2D6 P10635 4/20 0.42
▸ CYP2C9 P11712 4/20 0.42
▸ CYP2C19 P33261 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ IDE P14735 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL7381832 0.92 SLC22A12 (0.53) SLC22A12ALDH1A1KDM4EHPGDMAPT
SCHEMBL7970829 0.73 SLC22A12 (0.47) SLC22A12ALDH1A1KDM4EHPGDCYP2C9
SCHEMBL27272748 0.73 SLC22A12 (0.44) SLC22A12ALDH1A1KDM4EHPGDMAPT
SCHEMBL8687237 0.71 SLC22A12 (0.44) SLC22A12ALDH1A1HPGDCYP1A2SMN1; SMN2
SCHEMBL8682285 0.70 SLC22A12 (0.44) SLC22A12ALDH1A1HPGDGAAMEN1
SCHEMBL3607602 0.69 SLC22A12 (0.49) SLC22A12ALDH1A1KDM4EHPGDCYP2D6
SCHEMBL31746474 0.69 KMO (0.46) SLC22A12ALDH1A1KDM4EHPGDMAPT
SCHEMBL2404460 0.68 CYP4A11 (0.73) MAPTHRH1FAAHCYP4F2CYP4A11
SCHEMBL1553851 0.68 SLC22A12 (0.58) SLC22A12GAAMEN1KMT2AAPOBEC3A
SCHEMBL2811756 0.68 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDL3MBTL1GAA

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
US-6262040-B1 Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) PFIZER INC 2001-07-17 — — US disclosed
CN-1234031-A Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the prodn. of tumor necrosis factor (TNF) PFIZER (US) 1999-11-03 — — CN disclosed
EP-0931075-A1 INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1999-07-28 — — EP disclosed
WO-1998009961-A1 INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1998-03-12 — — WO disclosed
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