SCHEMBL9142152

SCHEMBL9142152

COc1ccc(-c2cnc(-c3ccccc3)[nH]c2=O)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.66
HPGDS O60760 1/20 0.62
GUSB P08236 1/20 0.56
ADORA1 P30542 1/20 0.53
NPY5R Q15761 1/20 0.52
KIT P10721 1/20 0.50
SMPD3 Q9NY59 1/20 0.49
AAK1 Q2M2I8 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
SCN2A Q99250 1/20 0.47
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL6670732 0.82 RECQL (0.71) RECQLHPGDSGUSBNPY5RSMPD3
SCHEMBL9141786 0.81 TRPV1 (0.51) GUSBADORA1KITPDE4APDE4B
SCHEMBL11226225 0.80 GUSB (0.44) RECQLHPGDSGUSBADORA1NPY5R
SCHEMBL15614429 0.80 RECQL (1.00) RECQLHPGDSGUSBNPY5RSMPD3
SCHEMBL28868937 0.80 RECQL (0.60) RECQLHPGDSNPY5RSCN2ATNKS
SCHEMBL2842992 0.76 HPGDS (1.00) RECQLHPGDSNPY5RSMPD3SCN2A
Bromide SCHEMBL9143339 0.76 GUSB (0.52) RECQLGUSBADORA1NPY5RSCN2A
SCHEMBL16007517 0.72 GUSB (1.00) GUSBCDK4CCND1TNKSTNKS2
SCHEMBL31238611 0.72 GUSB (1.00) GUSBCDK4CCND1TNKSTNKS2
SCHEMBL9564892 0.72 EGLN1 (0.44) RECQLNPY5RSCN2A

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-5438052-A Cephalosporin derivatives HOFFMANN-LA ROCHE INC. (US) 1995-08-01 US disclosed
EP-0544166-A2 Cephalosporinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed