SCHEMBL4620429

SCHEMBL4620429

S=C=NN(c1ccccn1)c1ccccn1.[Co]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NAAA Q02083 1/20 0.36
KMT2A Q03164 1/20 0.36
MIF P14174 1/20 0.34
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
METAP1 P53582 1/20 0.33

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
SCHEMBL717470 0.82 APLNR (0.42) HSD17B10MIFALDH1A1CYP1A2POLB
SCHEMBL3683164 0.71 ALDH1A1 (0.44) CYP2D6CYP2C19NPC1RAB9AHSD17B10
SCHEMBL8202219 0.69 CYP2D6 (0.48) CYP2D6CYP2C19NPC1RAB9AHSD17B10
SCHEMBL516315 0.68
SCHEMBL3127282 0.68 CYP2D6 (0.47) CYP2D6CYP2C19NPC1RAB9AHSD17B10
SCHEMBL2289138 0.67 CYP2D6 (0.50) CYP2D6CYP2C19NPC1RAB9AHSD17B10
Hydrochloric Acid SCHEMBL8742974 0.66 CYP2D6 (0.45) CYP2D6CYP2C19NPC1RAB9AHSD17B10
SCHEMBL1448809 0.65 CYP2D6 (0.41) CYP2D6CYP2C19NPC1RAB9AHSD17B10
SCHEMBL24066361 0.63
SCHEMBL14236836 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1094514-C Detergent containing heavy metal sequestrant and delayed release peroxyacid bleach system PROCTER & GAMBLE (US) 2002-11-20 CN claimed
EP-1885830-A2 DETERGENT COMPOSITIONS AND THEIR USE Unilever PLC (GB) 2008-02-13 EP disclosed
WO-2006128525-A2 DETERGENT COMPOSITIONS AND THEIR USE UNILEVER PLC (GB) 2006-12-07 WO disclosed
EP-1711652-A1 METHOD OF LAUNDRY WASHING UNILEVER N.V. (NL) 2006-10-18 EP disclosed
EP-1699703-A1 FOAM DISPENSER Unilever Plc (GB) 2006-09-13 EP disclosed
EP-1697573-A1 METHOD OF LAUNDRY WASHING UNILEVER N.V. (NL) 2006-09-06 EP disclosed
EP-1587903-A1 DETERGENT COMPOSITIONS Unilever Plc (GB) 2005-10-26 EP disclosed
WO-2005058710-A1 FOAM DISPENSER UNILEVER PLC (GB) 2005-06-30 WO disclosed
WO-2005059226-A1 METHOD OF LAUNDRY WASHING UNILEVER N.V. (NL) 2005-06-30 WO disclosed
WO-2005059227-A1 METHOD OF LAUNDRY WASHING UNILEVER N.V. (NL) 2005-06-30 WO disclosed
CN-1185329-C Unsymmetrical acyclic imide bleach activators and compositions employing the same PROCTER & GAMBLE (US) 2005-01-19 CN disclosed
WO-2004067689-A1 DETERGENT COMPOSITIONS UNILEVER PLC (GB) 2004-08-12 WO disclosed
CN-1231690-A Unsymmetrical acyclic imide bleach activators and compositions employing the same PROCTER & GAMBLE (US) 1999-10-13 CN disclosed