SCHEMBL24917432

SCHEMBL24917432

CC(C)C(=O)C(CCCCNC(=N)N)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALB P02768 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
NPY4R P50391 4/20 0.31
NPY1R P25929 3/20 0.31
NPY2R P49146 2/20 0.31
NPY5R Q15761 2/20 0.31
DPP7 Q9UHL4 1/20 0.31
EPHX1 P07099 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

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
SCHEMBL21541002 0.95 ALOX15 (0.34) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL1697811 0.84 ALOX15 (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL20100650 0.84 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL26390131 0.82 ALOX15 (0.32) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9952753 0.81 ALOX15 (0.37) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9952942 0.81 ALOX15 (0.37) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL22387177 0.80 DPP7 (0.44) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL196827 0.80 NOS2 (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL288819 0.80 NOS2 (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL160690 0.80 NOS2 (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023003515-A2 FUNCTIONALISED POLYPEPTIDES, NANOPARTICLES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-26 WO disclosed