SCHEMBL4620705

SCHEMBL4620705

Cc1cccnc1CNCCN

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.42
CXCR4 P61073 4/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ADORA2A P29274 9/20 0.40
ADORA1 P30542 7/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 2/20 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
Tromethamine SCHEMBL6204530 0.89 ADORA2A (0.37) SCN8ACXCR4ADORA2AADORA1MEN1
SCHEMBL2082460 0.85 NOS3 (0.45) SCN8ANOS3NOS1NOS2ADORA2A
SCHEMBL23428554 0.85 SCN8A (0.44) SCN8AADORA2AADORA1SMN1; SMN2CHRM2
SCHEMBL19865638 0.82 CHRM2 (0.46) SCN8AMEN1KMT2ASMN1; SMN2CHRM2
SCHEMBL2261106 0.80 NOS3 (0.41) NOS3NOS1NOS2ADORA2AADORA1
SCHEMBL16268932 0.80 CYP2C19 (0.45) SCN8AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5968788 0.80 HTR5A (0.37) ADORA2AALDH1A1CHRM2
SCHEMBL16268934 0.80 OPRM1 (0.41) SCN8ANOS3NOS1NOS2ADORA2A
SCHEMBL10483955 0.79 CHRM2 (0.40) CXCR4MEN1KMT2ASMN1; SMN2CHRM2
SCHEMBL26027287 0.79 SCN8A (0.37) SCN8ANOS3NOS1NOS2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101484544-B Liquid hardening OMG UK TECHNOLOGY LTD 2013-11-06 CN claimed
CN-102906176-A Curing liquids OMG ADDITIVES LTD 2013-01-30 CN claimed
CN-101484544-A Liquid hardening UNILEVER PLC (NL) 2009-07-15 CN 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-113474383-A Radically polymerizable composition 波林复合材料美国股份有限公司 2021-10-01 CN disclosed
CN-101484544-B Liquid hardening OMG UK TECHNOLOGY LTD 2013-11-06 CN disclosed
CN-102906176-A Curing liquids OMG ADDITIVES LTD 2013-01-30 CN disclosed
CN-101484544-A Liquid hardening UNILEVER PLC (NL) 2009-07-15 CN disclosed
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
WO-2001064828-A1 LAUNDRY BLEACHING AND DYE TRANSFER INHIBITING COMPOSITION UNILEVER PLC (GB) 2001-09-07 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-2001064827-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE 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-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-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