SCHEMBL2558993

SCHEMBL2558993

O=C(Nc1nc(-c2ccc(OC(F)(F)F)cc2)cs1)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ABL1 P00519 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MRE11 P49959 2/20 0.50
ALOX5 P09917 1/20 0.50
MPL P40238 1/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL2553329 0.86 RAB9A (0.67) KDM4EABL1NPC1RAB9ALMNA
SCHEMBL2560048 0.86 KDM4E (0.60) KDM4EABL1NPC1RAB9ACSNK2A2
SCHEMBL2555806 0.84 KDM4E (0.63) KDM4EABL1NPC1RAB9ALMNA
SCHEMBL2562374 0.84 RAB9A (0.59) KDM4EABL1NPC1RAB9ALMNA
SCHEMBL2557032 0.83 KDM4E (0.56) KDM4EABL1NPC1RAB9ALMNA
SCHEMBL2559911 0.83 LMNA (0.66) KDM4EABL1NPC1RAB9ALMNA
SCHEMBL2557090 0.82 KDM4E (0.63) KDM4EABL1NPC1RAB9ALMNA
SCHEMBL2556997 0.82 KDM4E (0.63) KDM4EABL1NPC1RAB9ALMNA
SCHEMBL2554299 0.82 ABL1 (0.67) KDM4EABL1NPC1RAB9ALMNA
SCHEMBL2554108 0.82 KDM4E (0.63) KDM4EABL1NPC1RAB9ALMNA

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