SCHEMBL825211

SCHEMBL825211

NCCNCc1nc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
POLB P06746 2/20 0.57
DDAH1 O94760 1/20 0.53
SLC40A1 Q9NP59 1/20 0.51
GAA P10253 1/20 0.50
KLK1 P06870 1/20 0.50
KLK5 Q9Y337 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 1/20 0.50
BCHE P06276 1/20 0.49

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
SCHEMBL11360890 0.94 PKM (0.56) PKMPOLBDDAH1SLC40A1GAA
SCHEMBL19012922 0.92 PKM (0.55) PKMPOLBDDAH1SLC40A1GAA
SCHEMBL370673 0.90 PKM (0.67) PKMPOLBDDAH1SLC40A1GAA
SCHEMBL711507 0.86 PKM (0.71) PKMPOLBDDAH1GAAKLK1
SCHEMBL31734838 0.86 PKM (0.71) PKMPOLBDDAH1GAAKLK1
SCHEMBL11353975 0.86 POLB (0.65) POLBDDAH1GAARAB9A
SCHEMBL6328764 0.84 PKM (0.60) PKMPOLBDDAH1SLC40A1HRH4
Hydrochloric Acid SCHEMBL710491 0.83 PKM (0.72) PKMPOLBDDAH1GAAKLK1
Hydrochloric Acid SCHEMBL710492 0.83 PKM (0.67) PKMPOLBDDAH1GAAKLK1
SCHEMBL21784319 0.82 PKM (0.54) PKMPOLBDDAH1SLC40A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709533-B Oxidation process 卡特克塞尔科技有限公司 2020-09-18 CN claimed
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
US-11193038-B2 Drier compositions for alkyd resins ALLNEX AUSTRIA GMBH (AT) 2021-12-07 US 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-107709533-B Oxidation process 卡特克塞尔科技有限公司 2020-09-18 CN disclosed
EP-2760899-B1 COATING COMPOSITION AND USE THEREOF PPG EUROPE B V (NL) 2020-08-19 EP disclosed
US-20190309185-A1 DRIER COMPOSITIONS FOR ALKYD RESINS ALLNEX AUSTRIA GMBH (AT) 2019-10-10 US disclosed
EP-3487947-A1 DRIER COMPOSITIONS FOR ALKYD RESINS Allnex Austria GmbH (AT) 2019-05-29 EP disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed