SCHEMBL14067433

SCHEMBL14067433

O=C(NCCNCO)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
POLB P06746 1/20 0.62
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
EPHX2 P34913 1/20 0.56
PRSS1 P07477 1/20 0.56
CTSG P08311 1/20 0.56
CTRB1 P17538 1/20 0.56
CMA1 P23946 1/20 0.56
KMT2A Q03164 1/20 0.56
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HPGD P15428 3/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54

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
SCHEMBL18689914 0.90 LMNA (0.69) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL3192014 0.88 LMNA (0.77) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL11251484 0.87 LMNA (0.61) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL7974111 0.84 LMNA (0.57) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL8851577 0.83 LMNA (0.66) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL10293576 0.82 LMNA (0.65) LMNAPOLBGAASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7974167 0.82 LMNA (0.56) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL321556 0.82 LMNA (0.75) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL305562 0.82 GAA (0.65) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL7974114 0.81 LMNA (0.59) LMNAPOLBGAASMN1; SMN2NPC1

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
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed