SCHEMBL28751123

SCHEMBL28751123

Nc1cnn(OC(=O)N2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
LIPA P38571 3/20 0.33
HPGD P15428 2/20 0.33
HSD11B1 P28845 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL22089720 0.95 ALDH1A1 (0.35) ALDH1A1POLBKDM4ESMN1; SMN2MEN1
SCHEMBL5650999 0.81 ALDH1A1 (0.41) ALDH1A1POLBKDM4ESMN1; SMN2MEN1
SCHEMBL5648948 0.81 SMN1; SMN2 (0.41) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5648255 0.81 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL28650726 0.79 ALDH1A1 (0.39) ALDH1A1POLBKDM4ESMN1; SMN2MEN1
SCHEMBL16975404 0.77 ALDH1A1 (0.52) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL27577341 0.76 ALDH1A1 (0.36) ALDH1A1POLBKDM4ESMN1; SMN2MEN1
SCHEMBL16975547 0.75 ALDH1A1 (0.50) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL5646918 0.74 SMN1; SMN2 (0.41) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL27577342 0.72 SMN1; SMN2 (0.44) ALDH1A1KDM4ESMN1; SMN2GAANPC1

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
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN disclosed