SCHEMBL2553531

SCHEMBL2553531

NC(=O)c1ccc(-c2csc(NC(=O)C3CCNCC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ABL1 P00519 1/20 0.58
RAB9A P51151 11/20 0.55
NPC1 O15118 7/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
LMNA P02545 6/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 4/20 0.53
ALDH1A1 P00352 4/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
MAPT P10636 2/20 0.53
TYR P14679 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL2560460 0.88 KDM4E (0.61) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL2554108 0.88 KDM4E (0.63) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL2558948 0.86 KDM4E (0.63) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL2556997 0.86 KDM4E (0.63) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL2555806 0.86 KDM4E (0.63) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL2557090 0.86 KDM4E (0.63) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL2554299 0.86 ABL1 (0.67) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL7430139 0.85 ITGB3 (0.56) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2559582 0.84 KDM4E (0.86) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL2559123 0.83 KDM4E (0.60) KDM4EABL1RAB9ANPC1SMN1; 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-2011130515-A1 ARYLTHIAZOLYL PIPERIDINES AND RELATED COMPOUNDS AS MODULATORS OF SURVIVAL MOTOR NEURON (SMN) PROTEIN PRODUCTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-10-20 WO claimed