SCHEMBL1677779

SCHEMBL1677779

Nc1nc(N)nc(NC(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
ADORA3 P0DMS8 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
NUDT1 P36639 1/20 0.30
HSD17B10 Q99714 1/20 0.30
DNMT1 P26358 1/20 0.30
DNMT3L Q9UJW3 1/20 0.30

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
SCHEMBL5150324 0.95 CYP1A2 (0.38) CYP1A2ADORA3GAAATMMAPT
SCHEMBL5052723 0.81 CYP1A2 (0.40) CYP1A2ADORA3CA1CA2CA9
SCHEMBL2473325 0.81 MAPT (0.37) CYP1A2ADORA3MAPTLMNANPC1
SCHEMBL3025720 0.80 CYP1A2 (0.38) CYP1A2CA1CA2CA9CA12
SCHEMBL3298153 0.78 POLB (0.52) CYP1A2ADORA3GAAATMLMNA
SCHEMBL26080192 0.78 CYP1A2 (0.37) CYP1A2ADORA3CA1CA2CA9
SCHEMBL5480214 0.76 CYP1A2 (0.40) CYP1A2CA1CA2CA9CA12
SCHEMBL11592921 0.75 CYP1A2 (0.38) CYP1A2ADORA3CA2CA9GAA
SCHEMBL7186156 0.75 ALDH1A1 (0.39) CYP1A2MAPTLMNASMN1; SMN2POLB
SCHEMBL7776751 0.75 LMNA (0.40) CYP1A2LMNANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572551-A Adhesive tape for adhering silicon rubber and preparation process thereof 东莞市声波新材料有限公司 2023-01-06 CN claimed
EP-0949253-B1 Melamine-azomethine derivates and corrosion inhibitor containing these derivates GRAICHEN STEFAN (DE) 2003-01-02 EP claimed
CN-115572551-A Adhesive tape for adhering silicon rubber and preparation process thereof 东莞市声波新材料有限公司 2023-01-06 CN disclosed
CN-106442482-A Detection kit for melamine in food 无锡艾科瑞思产品设计与研究有限公司 2017-02-22 CN disclosed
EP-2305620-B1 The use of a concrete material comprising aggregates, cement and a cement additive comprising a mixture of three zeolites for making a prefab construction material. MGX PATENT B V (NL) 2013-05-01 EP disclosed
EP-2305620-A1 Method for increasing the bending strength and/or compressive strength and/or elastic modulus of a concrete composition and the concrete composition obtainable thereby. Kaba Rosmalen Holding N.V. (NL) 2011-04-06 EP disclosed
EP-0326514-B1 Smoke and toxic gas suppressant composition FMC CORP UK LTD (GB) 1994-06-08 EP disclosed
EP-0549022-A2 Polymeric materials FMC CORPORATION (UK) LIMITED (GB) 1993-06-30 EP disclosed
US-4966920-A FOR POLYURETHANES; POLYESTER WITH LOW ACID VALUE MADE FROM COMPONENT HAVING FOUR CARBOXYL GROUPS CIBA-GEIGY CORPORATION (US) 1990-10-30 US disclosed
EP-0326514-A2 Smoke and toxic gas suppressant composition FMC CORPORATION (UK) LIMITED (GB) 1989-08-02 EP disclosed
US-3994863-A Process for the manufacture of polyester imides using melamine as the polyamine reactant BASF AKTIENGESELLSCHAFT (DT) 1976-11-30 US disclosed