SCHEMBL17844216

SCHEMBL17844216

O=c1c(NCCCCc2ccccc2)c(-c2ccccc2)sn1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
FKBP1A P62942 2/20 0.39
GSK3B P49841 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ASAH1 Q13510 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
TYMP P19971 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
ASPH Q12797 2/20 0.36
KDM8 Q8N371 2/20 0.36
CES2 O00748 1/20 0.36
GRIN2B Q13224 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RIOX2 Q8IUF8 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL17844163 0.85 PDE9A (0.42) CES2
SCHEMBL5184329 0.78 TYMP (0.42) MAOAMAOBASAH1KMT2AMEN1
SCHEMBL17844245 0.77 CYP1A2 (0.42) KMT2AMEN1KDM4E
SCHEMBL17844110 0.76 MAOA (0.40) MAOAMAOBASAH1KMT2AMEN1
SCHEMBL17844195 0.71 ASPH (0.41) MAOAMAOBASAH1KMT2AMEN1
SCHEMBL17844229 0.67 MEN1 (0.48) MAOAMAOBKMT2AMEN1KDM4E
SCHEMBL28511931 0.60 SIGMAR1 (0.55) KMT2A
SCHEMBL23019750 0.60 GRIN2B (0.69) EPHX1KMT2AGRIN2B
SCHEMBL21242573 0.60 GRIN2B (0.69) EPHX1KMT2AGRIN2B
SCHEMBL23599404 0.60 GRIN2B (0.69) EPHX1KMT2AGRIN2B

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed