SCHEMBL13565633

SCHEMBL13565633

CC1CN(c2cc(F)ccc2NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)CC(C)O1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
WDR5 P61964 1/20 0.33
PIK3CA P42336 1/20 0.32
ADRB3 P13945 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL17090447 1.00 KMT2A (0.38) KMT2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL13113663 0.87 KDM4E (0.37) KMT2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL13105264 0.87 KDM4E (0.37) KMT2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL17090094 0.86 KMT2A (0.38) KMT2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL13565374 0.86 KMT2A (0.38) KMT2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL13565254 0.86 KDM4E (0.36) KMT2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL17090455 0.86 KDM4E (0.36) KMT2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL17090452 0.85 MAPT (0.36) KMT2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL13565537 0.85 MAPT (0.36) KMT2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL17090286 0.84 KDM4E (0.38) KMT2ALMNAKDM4EALDH1A1SMN1; 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
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed