SCHEMBL11035922

SCHEMBL11035922

O=C(O)c1ccc2cccc(OCCCCCCCCOc3cccc4ccc(C(=O)O)nc34)c2n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
KMT2A Q03164 2/20 0.55
MCHR1 Q99705 4/20 0.52
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
NCF1 P14598 3/20 0.47
MMP2 P08253 2/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MGAM O43451 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
SCHEMBL11041376 1.00 KDM4E (0.55) KDM4EKMT2AMCHR1HDAC3HDAC4
SCHEMBL11037636 0.98 KDM4E (0.57) KDM4EKMT2AMCHR1HDAC3HDAC4
SCHEMBL11040523 0.95 KMT2A (0.57) KDM4EKMT2AMCHR1HDAC3HDAC4
SCHEMBL11038088 0.93 MCHR1 (0.64) KDM4EKMT2AMCHR1HDAC3HDAC4
SCHEMBL1000827 0.93 MCHR1 (0.64) KDM4EKMT2AMCHR1HDAC3HDAC4
SCHEMBL11036835 0.93 MCHR1 (0.64) KDM4EKMT2AMCHR1HDAC3HDAC4
SCHEMBL11038409 0.93 MCHR1 (0.64) KDM4EKMT2AMCHR1HDAC3HDAC4
SCHEMBL11038443 0.90 NCF1 (0.60) KDM4EKMT2AMCHR1NCF1MMP2
SCHEMBL11042427 0.90 NCF1 (0.60) KDM4EKMT2AMCHR1NCF1MMP2
SCHEMBL11037035 0.90 NCF1 (0.60) KDM4EKMT2AMCHR1NCF1MMP2

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
EP-0125276-A1 NEW CHELATE FORMING BISQUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HÖGBERG, Sverker (SE) 1984-11-21 EP disclosed
WO-1984001946-A1 NEW CHELATE FORMING BISQUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HOEGBERG SVERKER 1984-05-24 WO disclosed