SCHEMBL14439366

SCHEMBL14439366

O=C(CCCCOC1=CC(=O)C(=O)c2ccccc21)Nc1c2ccccc2nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
PTPRC P08575 2/20 0.43
CDC25B P30305 1/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.42
GLA P06280 2/20 0.42
TOP2A P11388 6/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TOP2B Q02880 2/20 0.40
ACKR3 P25106 1/20 0.39
LTB4R Q15722 3/20 0.39

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
SCHEMBL13611355 0.83 PTPN1 (0.52) PTPN1PTPRCCDC25BKDM4EGAA
SCHEMBL4303531 0.78 PTPN1 (0.68) PTPN1PTPRCCDC25BPOLBMEN1
SCHEMBL13611357 0.77 HDAC3 (0.47) PTPN1PTPRCCDC25BKDM4EMAPT
SCHEMBL13624811 0.72 PTPN1 (0.47) PTPN1PTPRCCDC25BALDH1A1TOP2A
SCHEMBL4298282 0.72 PTPN1 (0.67) PTPN1PTPRCCDC25BKDM4EMAPT
SCHEMBL4294827 0.71 PTPN1 (0.58) PTPN1PTPRCCDC25BMAPTRAB9A
SCHEMBL8583861 0.71 PTPN1 (0.65) PTPN1PTPRCCDC25BKDM4EMAPT
SCHEMBL5596353 0.71 PTPN1 (0.68) PTPN1PTPRCCDC25BKDM4EMAPT
SCHEMBL7239673 0.70 PTPN1 (0.56) PTPN1PTPRCCDC25BALDH1A1LTB4R
SCHEMBL4291302 0.70 PTPN1 (0.88) PTPN1PTPRCCDC25BKDM4EMAPT

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-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed