SCHEMBL3050071

SCHEMBL3050071

O=C(NCCNc1ccccc1)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
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 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
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 2/20 0.54
RECQL P46063 1/20 0.54
NAAA Q02083 1/20 0.54
HDAC3 O15379 1/20 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
SCHEMBL12093592 0.88 LMNA (0.78) LMNAPOLBSMN1; SMN2NPSR1NPC1
SCHEMBL3192014 0.88 LMNA (0.77) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL28683804 0.87 HDAC6 (0.68) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL9407545 0.87 HDAC4 (0.62) LMNAPOLBNPC1RAB9AEPHX2
SCHEMBL12089971 0.84 RAB9A (0.64) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL321556 0.82 LMNA (0.75) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL18689914 0.82 LMNA (0.69) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL3565228 0.82 EPHX1 (0.54) LMNAPOLBSMN1; SMN2EPHX2HDAC4
SCHEMBL6629558 0.82 SMN1; SMN2 (0.51) LMNAPOLBGAASMN1; SMN2NPSR1
SCHEMBL4292042 0.81 HPGDS (0.62) LMNAPOLBSMN1; SMN2NPC1RAB9A

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
US-7772388-B2 Inhibition of metallo-β-lactamase TEXAS TECH UNIVERSITY (US) 2010-08-10 US disclosed
US-20090203003-A1 INHIBITION OF METALLO-BETA-LACTAMASE TEXAS TECH UNIVERSITY SYSTEM (US) 2009-08-13 US disclosed