SCHEMBL29638147

SCHEMBL29638147

O=C(NO)c1c(O)cccc1-c1ncccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.45
HDAC6 Q9UBN7 9/20 0.45
KDM1A O60341 5/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MPO P05164 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
CASP6 P55212 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 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
SCHEMBL6217782 0.81 CA12 (0.57) KDM4ESMN1; SMN2HIF1ACASP6CA12
SCHEMBL3918261 0.78 KDM4E (0.58) HDAC1HDAC6HDAC2HDAC8KDM4E
SCHEMBL679952 0.69 CYP19A1 (0.55) KDM1AKDM4ESMN1; SMN2HIF1ACASP6
SCHEMBL31551042 0.69 CYP19A1 (0.55) KDM1AKDM4ESMN1; SMN2HIF1ACASP6
SCHEMBL619724 0.69 CES2 (0.50) HDAC1HDAC6KDM4EMPOGAA
SCHEMBL28348282 0.69 MAOA (0.45) KDM1AHDAC8MAOAMAOBKDM4E
Hydrochloric Acid SCHEMBL15621988 0.68 CYP19A1 (0.53) KDM1AKDM4ESMN1; SMN2HIF1ACASP6
SCHEMBL27654823 0.68 CYP19A1 (0.53) KDM1AKDM4ESMN1; SMN2HIF1ACASP6
SCHEMBL23263176 0.67 CASP6 (0.46) MAOAMAOBGAASMN1; SMN2CASP6
Hydrochloric Acid SCHEMBL28385733 0.67 MAOA (0.43) KDM1AHDAC8MAOAMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110317177-B Preparation method of pyrimidine salicylic acid oxime ester compound and application of pyrimidine salicylic acid oxime ester compound as herbicide 常州大学 2022-05-17 CN disclosed
CN-110317177-B Preparation method of pyrimidine salicylic acid oxime ester compound and application of pyrimidine salicylic acid oxime ester compound as herbicide 常州大学 2022-05-17 CN disclosed
CN-110317177-B Preparation method of pyrimidine salicylic acid oxime ester compound and application of pyrimidine salicylic acid oxime ester compound as herbicide 常州大学 2022-05-17 CN disclosed