SCHEMBL28007671

SCHEMBL28007671

O=CCCNC(=O)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
HDAC3 O15379 4/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC10 Q969S8 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
SCHEMBL1193202 0.89 NPC1 (0.62) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL3192014 0.88 LMNA (0.77) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL19287095 0.87 HDAC1 (0.63) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL3075538 0.87 LMNA (0.61) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL6539681 0.87 LMNA (0.51) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL8811889 0.86 HDAC1 (0.66) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL9124753 0.86 HDAC1 (0.66) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL6682080 0.86 HDAC1 (0.66) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL9123172 0.86 HDAC1 (0.66) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL18689914 0.86 LMNA (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447688-B Pyrazole amide compound and application thereof 沈阳中化农药化工研发有限公司 2017-01-11 CN disclosed
CN-104447688-A Pyrazole amide compound and application thereof SINOCHEM CORP 2015-03-25 CN disclosed