SCHEMBL6587939

SCHEMBL6587939

C#Cc1nnc(Cl)c2ccc(OC)cc12.c1cc2cc-2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.53
PDE4B Q07343 3/20 0.53
PDE4C Q08493 3/20 0.53
PDE4D Q08499 3/20 0.53
PDE5A O76074 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2E1 P05181 2/20 0.38
CYP2C8 P10632 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP4B1 P13584 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP3A5 P20815 2/20 0.38
CYP2A7 P20853 2/20 0.38
CYP3A7 P24462 2/20 0.38
CYP2F1 P24903 2/20 0.38
CYP2C18 P33260 2/20 0.38

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
Pyridine SCHEMBL6587466 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6585377 0.79 PDE4A (0.88) PDE4APDE4BPDE4CPDE4DPLAU
SCHEMBL26690613 0.76 KDM4E (0.45) PDE5ACYP3A4CYP1A2CYP2C19CYP11B1
SCHEMBL6585632 0.73 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4833986 0.72 CA9 (0.47) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL4845442 0.71 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL2306186 0.70 SMN1; SMN2 (0.42) PDE5ACYP3A4CYP1A2CYP2D6CYP11B1
SCHEMBL6587239 0.69 PDE4A (0.94) PDE4APDE4BPDE4CPDE4D
SCHEMBL6591087 0.69 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL4843388 0.69 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DCYP11B1

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 3 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