SCHEMBL5067253

SCHEMBL5067253

O=C(O)c1ccc2c(c1)C(=O)N[N]C2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.56
ALDH1A1 P00352 2/20 0.42
SRD5A2 P31213 4/20 0.41
TTR P02766 2/20 0.41
PTPRC P08575 2/20 0.40
SRD5A1 P18405 3/20 0.38
POLB P06746 3/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
ENPP2 Q13822 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5879567 0.75 TDP2 (0.61) TDP2ALDH1A1SRD5A2TTRPTPRC
SCHEMBL18010815 0.72 TDP2 (1.00) TDP2SRD5A2
SCHEMBL20894239 0.72 PARP10 (0.58) TDP2ALDH1A1SRD5A2SRD5A1KDM4E
SCHEMBL29631237 0.72 PARP10 (0.58) TDP2ALDH1A1SRD5A2SRD5A1KDM4E
SCHEMBL7400636 0.69 TDP2 (0.50) TDP2ALDH1A1SRD5A2TTRPTPRC
SCHEMBL17327530 0.68 TDP2 (0.62) TDP2ALDH1A1SRD5A2TTRPTPRC
SCHEMBL16130136 0.68 SRD5A2 (0.68) TDP2ALDH1A1SRD5A2TTRPTPRC
SCHEMBL7050731 0.68 TTR (0.58) TDP2ALDH1A1SRD5A2TTRPTPRC
SCHEMBL28440350 0.68 SRD5A2 (0.67) TDP2ALDH1A1SRD5A2TTRPTPRC
Isophthalic Acid SCHEMBL28032858 0.68 PARP10 (0.53) TDP2ALDH1A1SRD5A2SRD5A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed