SCHEMBL2646497

SCHEMBL2646497

ClCc1cc(Cl)c(Cl)cc1OC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.38
DHFR P00374 1/20 0.34
CSNK2A1 P68400 2/20 0.33
KDM4C Q9H3R0 1/20 0.32
PDE4B Q07343 3/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SLC6A3 Q01959 4/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11453034 0.83 CSNK2A1 (0.36) PTPN1DHFRCSNK2A1KDM4CPDE4B
SCHEMBL11464250 0.78 KMT2A (0.37) CSNK2A1PDE4BPDE4APDE4CPDE4D
SCHEMBL2648241 0.78 KDM4C (0.38) PTPN1DHFRKDM4CPDE4BMEN1
SCHEMBL10071126 0.73 PTPN1 (0.41) PTPN1DHFRPDE4B
SCHEMBL13478345 0.73 TSHR (0.38) CSNK2A1PDE4BSLC6A3
SCHEMBL11455772 0.73 CSNK2A1 (0.43) CSNK2A1PDE4BSLC6A3
SCHEMBL12429188 0.72 SLC6A4 (0.44) CSNK2A1KDM4CSLC6A3L3MBTL1
SCHEMBL16695147 0.71 LMNA (0.43) CSNK2A1PDE4BMEN1KMT2A
SCHEMBL8317291 0.71 CSNK2A1 (0.44) PTPN1DHFRCSNK2A1PDE4BPDE4A
SCHEMBL7167776 0.71 CSNK2A1 (0.41) PTPN1CSNK2A1PDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-1140823-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2001-10-10 EP disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO disclosed