SCHEMBL18619965

SCHEMBL18619965

C/N=C(\N)NC1CCN(I)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
NOS1 P29475 1/20 0.33
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9060289 0.77 SIGMAR1 (0.58) SIGMAR1NOS1KDM4ESMN1; SMN2
SCHEMBL20111343 0.77
SCHEMBL11301865 0.75 SIGMAR1 (0.61) SIGMAR1KDM4ESMN1; SMN2
SCHEMBL28300346 0.75 SIGMAR1 (0.61) SIGMAR1KDM4ESMN1; SMN2
SCHEMBL17573327 0.74 LTA4H (0.37) TSHRKDM4ESMN1; SMN2
Iodide SCHEMBL27688321 0.74 SIGMAR1 (0.59) SIGMAR1KDM4ESMN1; SMN2
SCHEMBL18620013 0.74
SCHEMBL26085538 0.72 SIGMAR1 (0.38) SIGMAR1NOS1KDM4E
SCHEMBL18559452 0.71 HTT (0.36) KDM4ESMN1; SMN2
SCHEMBL14607759 0.69 ATM (0.44) KDM4E

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-2017040271-A1 MODIFIED ANTISENSE OLIGOMERS FOR EXON INCLUSION IN SPINAL MUSCULAR ATROPHY SAREPTA THERAPEUTICS, INC. (US) 2017-03-09 WO disclosed