SCHEMBL6584375

SCHEMBL6584375

COc1ccc2c(=O)[nH]ncc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
PDE4B Q07343 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
AR P10275 1/20 0.34
PGR P06401 1/20 0.33
METAP2 P50579 3/20 0.33
TIPARP Q7Z3E1 2/20 0.33
CYP1A2 P05177 2/20 0.33
RECQL P46063 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6589108 0.72 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL6586794 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL6585673 0.71 PDE4B (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL3469412 0.70 MAPT (0.47) ALDH1A1KDM4EHPGDPDE4BPDE4A
SCHEMBL29104329 0.70 DRD2 (0.43) ALDH1A1KDM4EMAPK1TSHRPOLB
SCHEMBL1712822 0.70 CA2 (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL6585114 0.69 PDE4B (0.52) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL10058964 0.69 EPAS1 (0.38) METAP2
SCHEMBL6586037 0.68 PDE4D (0.53) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL6584184 0.68 PDE4B (0.50) ALDH1A1KDM4EHPGDHSD17B10MAPK1

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