SCHEMBL6591973

SCHEMBL6591973

COc1ccc2c(=O)[nH]nc(-c3ccccc3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.65
GSK3B P49841 2/20 0.65
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 1/20 0.57
ROCK1 Q13464 4/20 0.55
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
DYRK1A Q13627 1/20 0.54
ENPP1 P22413 1/20 0.54
MAPK1 P28482 1/20 0.50
CASR P41180 1/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TTK P33981 2/20 0.48
PIK3CA P42336 1/20 0.47

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
SCHEMBL4843618 0.94 GSK3A (0.65) GSK3AGSK3BATMNPSR1ALDH1A1
SCHEMBL4841775 0.92 GSK3A (0.62) GSK3AGSK3BATMNPSR1ALDH1A1
SCHEMBL4124300 0.85 ENPP1 (0.66) GSK3AGSK3BATMNPSR1ALDH1A1
SCHEMBL4838570 0.84 ENPP1 (0.56) GSK3AGSK3BATMNPSR1ALDH1A1
SCHEMBL710318 0.83 ATM (0.67) GSK3AGSK3BATMNPSR1ALDH1A1
SCHEMBL30719652 0.83 ATM (0.67) GSK3AGSK3BATMNPSR1ALDH1A1
SCHEMBL24000722 0.82 ENPP1 (0.64) GSK3AGSK3BROCK1PDE4APDE4B
Hydrochloric Acid SCHEMBL30088895 0.81 ENPP1 (0.62) GSK3AGSK3BROCK1PDE4APDE4B
SCHEMBL4844032 0.81 ENPP1 (0.62) GSK3AGSK3BATMNPSR1ALDH1A1
SCHEMBL4837888 0.81 GSK3A (0.53) GSK3AGSK3BALDH1A1KDM4ENPC1

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
CN-118496166-A Preparation method of phthalazinone compound 五邑大学 2024-08-16 CN disclosed
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