SCHEMBL6587665

SCHEMBL6587665

COc1ccc2c(=O)[nH]nc(CCCCc3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.50
AR P10275 2/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
PRMT5 O14744 8/20 0.47
WDR77 Q9BQA1 7/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTR2A P28223 1/20 0.44
ADORA2B P29275 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL4841413 0.88 PARP1 (0.51) PARP1ARCYP3A4CYP2C9CYP2C19
SCHEMBL4833670 0.84 PARP1 (0.66) PARP1ARCYP3A4CYP2C9CYP2C19
SCHEMBL4837939 0.80 MAPT (0.47) ARCYP3A4CYP2C9CYP2C19TSHR
SCHEMBL6589678 0.79 PRMT5 (0.52) ARCYP3A4CYP2C9CYP2C19TSHR
SCHEMBL4837264 0.78 PARP1 (0.52) PARP1ARCYP3A4CYP2C9CYP2C19
SCHEMBL4702067 0.75 PARP1 (0.42) PARP1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL6589989 0.75 CYP11B1 (0.53) PARP1ARCYP3A4CYP2C9CYP2C19
SCHEMBL4840388 0.75 GAA (0.51) PARP1ARCYP3A4CYP2C9CYP2C19
SCHEMBL6586299 0.75 PDE4A (0.48) GAAMAPTHTR2APPARG
SCHEMBL6591973 0.75 GSK3A (0.65) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097142-B1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-10-13 EP disclosed
US-6492360-B1 Phthalazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2002-12-10 US disclosed
US-6329370-B1 CARDIOVASCULAR DISORDERS AND TUMOR NECROSIS FACTOR (HEREINAFTER TNF.SUB..ALPHA.), A CYTOKINE WITH PRO-INFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2001-12-11 US disclosed
EP-1097142-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-05-09 EP disclosed
WO-2000005218-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-02-03 WO disclosed