SCHEMBL5709557

SCHEMBL5709557

COc1cc2ccc(C(=O)NN)cc2cc1C(=O)NN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CTSD P07339 1/20 0.50
HSD17B1 P14061 1/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 4/20 0.48
POLB P06746 4/20 0.47
AHR P35869 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
XDH P47989 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL11810426 0.84 KDM4E (0.65) CTSDKMT2AMEN1ALDH1A1NPC1
SCHEMBL28552806 0.84 KMT2A (0.54) CTSDHSD17B1KMT2AMEN1ALDH1A1
SCHEMBL966735 0.83 CTSD (0.62) CA1CA2CTSDKMT2AMEN1
SCHEMBL5693970 0.80 CA1 (0.71) CA1CA2ALDH1A1CYP1A2CYP2C19
SCHEMBL23716794 0.79 CTSD (0.63) CA1CA2CTSDKMT2AMEN1
SCHEMBL28553519 0.79 KMT2A (0.49) CTSDHSD17B1KMT2AMEN1ALDH1A1
SCHEMBL808434 0.79 MPO (0.58) CA1CA2ALDH1A1CYP1A2CYP3A4
SCHEMBL5709552 0.78 MAPT (0.70) KMT2AMEN1ALDH1A1CYP3A4POLB
SCHEMBL11806559 0.78 POLB (0.62) KMT2AMEN1ALDH1A1NPC1POLB
SCHEMBL4189157 0.78 MAPT (0.70) CA1CA2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060231589-A1 Hydroxynaphthalenedicarboxylic acid hydrazide and derivatives thereof as well as process for preparing them KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO 2006-10-19 US disclosed
EP-1712546-A1 Hydroxynaphthalenedicarboxylic acid hydrazide and derivatives thereof as well as process for preparing them KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2006-10-18 EP disclosed