SCHEMBL825269

SCHEMBL825269

Cc1cccnc1CC(N)CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
CXCR4 P61073 5/20 0.40
PLAU P00749 1/20 0.36
SCN4A P35499 7/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
DAO P14920 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL18160810 0.86 NOS3 (0.42) NOS3NOS1NOS2CXCR4PLAU
SCHEMBL28450031 0.81 NOS3 (0.45) NOS3NOS1NOS2CXCR4PLAU
SCHEMBL20279304 0.81 NOS3 (0.39) NOS3NOS1NOS2CXCR4PLAU
SCHEMBL11196155 0.80 NOS3 (0.44) NOS3NOS1NOS2CXCR4PLAU
SCHEMBL5968787 0.79 L3MBTL1 (0.33) MAPTL3MBTL1LMNACYP1A2
SCHEMBL31256701 0.77 NOS3 (0.43) NOS3NOS1NOS2CXCR4PLAU
SCHEMBL12088700 0.77 NOS3 (0.43) NOS3NOS1NOS2CXCR4PLAU
SCHEMBL29505865 0.77
SCHEMBL261768 0.77
Hydrochloric Acid SCHEMBL23151891 0.75 NOS3 (0.50) NOS3NOS1NOS2CXCR4PLAU

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038356-B8 LIQUID HARDENING UNILEVER PLC (GB) 2011-06-22 EP claimed
EP-2038356-A1 LIQUID HARDENING Unilever PLC (GB) 2009-03-25 EP claimed
WO-2008003652-A1 LIQUID HARDENING UNILEVER PLC (GB) 2008-01-10 WO claimed
CN-113474383-B Free radical polymerizable composition 波林复合材料美国股份有限公司 2023-10-31 CN disclosed
CN-109476953-B Desiccant composition for alkyd resins 湛新奥地利有限公司 2021-12-24 CN disclosed
CN-113474383-A Radically polymerizable composition 波林复合材料美国股份有限公司 2021-10-01 CN disclosed
EP-2582744-B1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS AKZO NOBEL CHEMICALS INT BV (NL) 2014-03-26 EP disclosed
EP-2582744-A1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS Akzo Nobel Chemicals International B.V. (NL) 2013-04-24 EP disclosed
WO-2011157673-A1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-12-22 WO disclosed
EP-2038356-B8 LIQUID HARDENING UNILEVER PLC (GB) 2011-06-22 EP disclosed
WO-2010006861-A1 A PROCESS FOR TREATING STAINS ON FABRIC UNILEVER PLC (GB) 2010-01-21 WO disclosed
WO-2001064994-A1 METHOD FOR REDUCING DYE FADING OF FABRICS IN LAUNDRY BLEACHING COMPOSITIONS UNILEVER PLC (GB) 2001-09-07 WO disclosed
WO-2001064824-A1 BLEACHING AND DYE TRANSFER INHIBITING COMPOSITION AND METHOD FOR STAIN BLEACHING OF LAUNDRY FABRICS UNILEVER PLC (GB) 2001-09-07 WO disclosed
WO-2001064825-A1 BLEACHING COMPOSITION AND METHOD FOR BLEACHING LAUNDRY FABRICS UNILEVER PLC (GB) 2001-09-07 WO disclosed
WO-2001064828-A1 LAUNDRY BLEACHING AND DYE TRANSFER INHIBITING COMPOSITION UNILEVER PLC (GB) 2001-09-07 WO disclosed
WO-2001048138-A2 BLEACHING COMPOSITION UNILEVER N.V. (NL) 2001-07-05 WO disclosed
WO-2001048137-A1 BLEACHING COMPOSITION UNILEVER N.V. (NL) 2001-07-05 WO disclosed
WO-2001016269-A1 METHOD OF BLEACHING STAINED FABRICS UNILEVER PLC (GB) 2001-03-08 WO disclosed
WO-2001016268-A1 METHOD OF PRETREATING AND BLEACHING STAINED FABRICS UNILEVER PLC (GB) 2001-03-08 WO disclosed
WO-2001016271-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-03-08 WO disclosed