SCHEMBL2562649

SCHEMBL2562649

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.58
▸ ABL1 P00519 1/20 0.56
▸ RAB9A P51151 10/20 0.55
▸ SMN1; SMN2 Q16637 9/20 0.53
▸ NPC1 O15118 6/20 0.53
▸ LMNA P02545 5/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPT P10636 3/20 0.51
▸ HTT P42858 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ NR2F2 P24468 1/20 0.51
▸ GCK P35557 3/20 0.50
▸ USP2 O75604 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MCOLN3 Q8TDD5 1/20 0.47

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
SCHEMBL2554235 0.88 RAB9A (0.60) KDM4EABL1RAB9ASMN1; SMN2NPC1
SCHEMBL2556997 0.86 KDM4E (0.63) KDM4EABL1RAB9ASMN1; SMN2NPC1
SCHEMBL2560460 0.84 KDM4E (0.61) KDM4EABL1RAB9ASMN1; SMN2NPC1
SCHEMBL2558948 0.84 KDM4E (0.63) KDM4EABL1RAB9ASMN1; SMN2NPC1
SCHEMBL2554108 0.84 KDM4E (0.63) KDM4EABL1RAB9ASMN1; SMN2NPC1
SCHEMBL2557090 0.84 KDM4E (0.63) KDM4EABL1RAB9ASMN1; SMN2NPC1
SCHEMBL2555806 0.84 KDM4E (0.63) KDM4EABL1RAB9ASMN1; SMN2NPC1
SCHEMBL2554299 0.84 ABL1 (0.67) KDM4EABL1RAB9ASMN1; SMN2NPC1
SCHEMBL2560043 0.83 KDM4E (0.60) KDM4EABL1RAB9ASMN1; SMN2NPC1
SCHEMBL2557283 0.83 SMN1; SMN2 (0.61) KDM4EABL1RAB9ASMN1; 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
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
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