SCHEMBL6587245

SCHEMBL6587245

COc1ccc(C2=NC(C)(C)CO2)c(C(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HTT P42858 4/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
HRH1 P35367 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PDE4D Q08499 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL24077329 0.83 SMN1; SMN2 (0.38) ALDH1A1LMNACYP1A2CYP2D6HPGD
SCHEMBL30168563 0.82 SMN1; SMN2 (0.37) LMNACYP1A2CYP2D6HPGDCYP2C19
SCHEMBL6587388 0.82 SMN1; SMN2 (0.37) LMNACYP1A2CYP2D6HPGDCYP2C19
SCHEMBL6587148 0.80 POLB (0.46) RAB9AKMT2APOLBNPC1
SCHEMBL6301363 0.78 KDM4E (0.42) ALDH1A1LMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL12897084 0.77 KDM4E (0.42) HTTLMNAKDM4EMAPT
SCHEMBL9607174 0.77 KDM4E (0.42) ALDH1A1SMN1; SMN2KMT2AKDM4ENPC1
SCHEMBL7447080 0.76 HSD17B10 (0.38) ALDH1A1HPGDKDM4E
SCHEMBL6585629 0.76 KDM4E (0.37) ALDH1A1HTTLMNASMN1; SMN2KMT2A
SCHEMBL20921291 0.76 KDM4E (0.43) HTTLMNACYP1A2CYP2D6KDM4E

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