SCHEMBL29020091

SCHEMBL29020091

CC(CCC(=O)c1cccnc1)NN=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
LMNA P02545 1/20 0.47
PLOD3 O60568 1/20 0.46
PLOD1 Q02809 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL28522671 0.82 PLOD2 (0.50) PLOD2HDAC1HDAC8LMNAPLOD3
SCHEMBL608117 0.81 PLOD2 (0.45) PLOD2HDAC1HDAC8LMNAPLOD3
SCHEMBL9433142 0.81 PLOD2 (0.56) PLOD2HDAC1HDAC8LMNAPLOD3
SCHEMBL30173794 0.81 PLOD2 (0.56) PLOD2HDAC1HDAC8LMNAPLOD3
SCHEMBL23792310 0.77 PLOD2 (0.51) PLOD2HDAC1HDAC8LMNAPLOD3
SCHEMBL18106041 0.76 PLOD2 (0.47) PLOD2HDAC1HDAC8LMNAPLOD3
SCHEMBL7075878 0.75 PLOD2 (0.69) PLOD2HDAC1HDAC8LMNAPLOD3
SCHEMBL23992253 0.75 HDAC1 (0.54) PLOD2HDAC1HDAC8LMNAPLOD3
SCHEMBL15445292 0.74 KMT2A (0.59) PLOD2HDAC1HDAC8LMNAPLOD3
SCHEMBL7543318 0.74 HDAC1 (0.50) PLOD2HDAC1HDAC8LMNAPLOD3

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-117089565-A Compositions and methods for producing tobacco plants and products having altered alkaloid content and desirable leaf quality 奥驰亚客户服务有限公司 2023-11-21 CN disclosed
CN-116849114-A Methods and compositions related to improved nitrogen utilization efficiency in tobacco 奥驰亚客户服务有限公司 2023-10-10 CN disclosed
CN-111212562-B Methods and compositions related to improved nitrogen utilization efficiency in tobacco 奥驰亚客户服务有限公司 2023-06-27 CN disclosed
CN-112105257-B Compositions and methods for producing tobacco plants and products having altered alkaloid content and desirable leaf quality 奥驰亚客户服务有限公司 2023-06-23 CN disclosed