SCHEMBL28081014

SCHEMBL28081014

CNc1nc(NO)nc(NO)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
IDH2 P48735 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NUDT1 P36639 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
SCHEMBL18721498 1.00 PDE4A (0.39) PDE4ACYP1A2CYP2C19TDP1LMNA
SCHEMBL14561843 0.87 ALDH1A1 (0.35) PDE4ACYP1A2CYP2C19LMNAGAA
SCHEMBL18737196 0.83 PDE4A (0.45) PDE4ACYP1A2CYP2C19LMNAGAA
SCHEMBL33146 0.83 PDE4A (0.48) PDE4ACYP1A2CYP2C19TDP1LMNA
SCHEMBL27871771 0.79 PDE4A (0.46) PDE4ACYP1A2CYP2C19TDP1LMNA
SCHEMBL13295567 0.75 PDE4A (0.39) PDE4ACYP1A2CYP2C19TDP1LMNA
SCHEMBL14380954 0.75 GAA (0.32) GAAHSD17B10
SCHEMBL18712529 0.74 KMT2A (0.55)
SCHEMBL18721464 0.74 BCHE (0.56) LMNAGAACA1CA2CA9
SCHEMBL10060205 0.71 ALDH1A1 (0.47) PDE4ACYP1A2CYP2C19TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905544-B Manufacturing method, polyacetal resin composite particle and the formed body of polyacetals 旭化成株式会社 2019-08-23 CN disclosed
CN-104231536-B Polyacetal resin composite 旭化成株式会社 2017-10-27 CN disclosed
CN-106905544-A The manufacture method of polyacetals, polyacetal resin composite particle and formed body 旭化成株式会社 2017-06-30 CN disclosed
CN-104379628-B Sulfonium compound, it prepares and application thereof 巴斯夫欧洲公司 2016-11-16 CN disclosed