SCHEMBL4276040

SCHEMBL4276040

O=C(O)NCCCN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
MAPT P10636 1/20 0.58
LIN28A Q9H9Z2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ALOX15 P16050 1/20 0.44
TERT O14746 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3410024 0.94 SMN1; SMN2 (0.55) SMN1; SMN2MAPTLIN28ATDP1HDAC3
SCHEMBL2471917 0.94 SMN1; SMN2 (0.55) SMN1; SMN2MAPTLIN28ATDP1HDAC3
SCHEMBL19877250 0.91 SMN1; SMN2 (0.62) SMN1; SMN2MAPTLIN28ATDP1HDAC3
SCHEMBL13661304 0.82 HTT (0.54) SMN1; SMN2MAPTLIN28ATDP1HDAC3
SCHEMBL5062633 0.81 SMN1; SMN2 (0.64) SMN1; SMN2MAPTLIN28ATDP1HDAC3
SCHEMBL2843465 0.80 SMN1; SMN2 (0.58) SMN1; SMN2TDP1ALOX15NPC1RAB9A
SCHEMBL1065199 0.80 SMN1; SMN2 (0.68) SMN1; SMN2MAPTLIN28ATDP1HDAC3
SCHEMBL26521138 0.80 SMN1; SMN2 (0.72) SMN1; SMN2MAPTLIN28ATDP1HDAC3
SCHEMBL12762776 0.79 SMN1; SMN2 (0.62) SMN1; SMN2MAPTLIN28ATDP1HDAC3
SCHEMBL7107996 0.79 MAPT (0.84) SMN1; SMN2MAPTLIN28ATDP1HDAC3

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-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed