SCHEMBL6589989

SCHEMBL6589989

COc1ccc2c(Cc3ccncc3)n[nH]c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 1/20 0.52
PARP1 P09874 4/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
AR P10275 2/20 0.49
ENPP1 P22413 3/20 0.48
PRMT5 O14744 3/20 0.46
WDR77 Q9BQA1 3/20 0.46
CYP19A1 P11511 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.45
CYP17A1 P05093 1/20 0.45
SHMT2 P34897 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
SCHEMBL4833670 0.88 PARP1 (0.66) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6586097 0.85 ENPP1 (0.63) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL4702788 0.81 CYP3A4 (0.53) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL4117496 0.81 GAA (0.51) CYP3A4CYP2C9TSHRCYP2C19AR
SCHEMBL6608381 0.80 PARP1 (0.54) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5555992 0.80 PARP1 (0.54) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL4131883 0.80 GAA (0.50) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6590866 0.79 TSHR (0.48) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6486531 0.79 PDE4A (0.57) CYP3A4CYP2C9TSHRCYP2C19AR
SCHEMBL4837939 0.79 MAPT (0.47) CYP3A4CYP2C9TSHRCYP2C19AR

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
EP-1097142-B1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-10-13 EP disclosed
EP-1371648-A1 Phthalazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.p.A. (IT) 2003-12-17 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