SCHEMBL6587304

SCHEMBL6587304

COc1ccc(C2=NC(C)(C)CO2)c(C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.43
ALDH1A1 P00352 5/20 0.41
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
HPGD P15428 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL12897084 0.82 KDM4E (0.42) KDM4EMAPTLMNAHTTHRH3
SCHEMBL3752197 0.81 ATM (0.44) KDM4EMAPTLMNAHTTHRH3
SCHEMBL3753188 0.81 XDH (0.44) ERN1ALDH1A1KDM4EMAPTLMNA
SCHEMBL20921291 0.81 KDM4E (0.43) KDM4EMAPTCYP1A2LMNAHTT
SCHEMBL6701333 0.81 PTPN1 (0.45) ALDH1A1KDM4EMAPTCYP1A2CYP2C19
SCHEMBL9607174 0.80 KDM4E (0.42) ALDH1A1KDM4EMAPTHRH3
SCHEMBL711918 0.79 KDM4E (0.39) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL7648776 0.77 HRH3 (0.36) KDM4EMAPTLMNAHTTHRH3
SCHEMBL9150008 0.77 HRH3 (0.46) KDM4EMAPTLMNAHTTHRH3
SCHEMBL24718227 0.77 LMNA (0.46) KDM4EMAPTLMNAHTTHRH3

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