SCHEMBL20822004

SCHEMBL20822004

N=C(N)NCCCC(N)CN

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.38
NPY4R P50391 9/20 0.32
NPY1R P25929 7/20 0.32
NPY2R P49146 5/20 0.32
NPY5R Q15761 5/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL26614349 1.00 MEN1 (0.41) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL6545309 0.83 MEN1 (0.41) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL29404058 0.83 MEN1 (0.41) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL6545308 0.82 ALOX15 (0.44) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL7158448 0.82 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL30158908 0.82 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL171399 0.82 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL18822222 0.82 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL11535264 0.82 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL20763908 0.81 MEN1 (0.37) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023207875-A1 CDK INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS ONQUALITY PHARMACEUTICALS CHINA LTD. (CN) 2023-11-02 WO disclosed
EP-3456745-A1 HYALURONIC ACID DERIVATIVE HAVING CATIONIC GROUP AND HYDROPHOBIC GROUP INTRODUCED THEREIN Chugai Seiyaku Kabushiki Kaisha (JP) 2019-03-20 EP disclosed