SCHEMBL2560048

SCHEMBL2560048

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
GSTO1 P78417 1/20 0.60
ABL1 P00519 1/20 0.57
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 4/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SIRT5 Q9NXA8 1/20 0.51
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50

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
SCHEMBL2559123 0.89 KDM4E (0.60) KDM4EGSTO1ABL1RAB9ANPC1
SCHEMBL2556748 0.88 NPC1 (0.58) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL2555806 0.87 KDM4E (0.63) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL2558993 0.86 KDM4E (0.56) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL2557090 0.85 KDM4E (0.63) KDM4EGSTO1ABL1RAB9ANPC1
SCHEMBL2556997 0.85 KDM4E (0.63) KDM4EGSTO1ABL1RAB9ANPC1
SCHEMBL2558948 0.85 KDM4E (0.63) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL2554299 0.85 ABL1 (0.67) KDM4EGSTO1ABL1RAB9ANPC1
SCHEMBL2554108 0.85 KDM4E (0.63) KDM4EABL1RAB9ANPC1SMN1; SMN2
SCHEMBL2560460 0.83 KDM4E (0.61) 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