SCHEMBL9684637

SCHEMBL9684637

CN1C[S+]([O-])c2cc(CCCC#N)ccc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.31

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
SCHEMBL9685609 0.83 DRD2 (0.39)
SCHEMBL7760492 0.82
SCHEMBL9684037 0.82 S1PR1 (0.38)
SCHEMBL9684946 0.81 BCHE (0.37) IRAK4
SCHEMBL9685749 0.80 CNR1 (0.36)
Hydrochloric Acid SCHEMBL8870829 0.80 TLR8 (0.35)
SCHEMBL8114240 0.79 KDM4E (0.37) MEN1KMT2ABACE1
SCHEMBL7761425 0.79 GRIA2 (0.31)
SCHEMBL9437858 0.78 DRD2 (0.37)
Hydrochloric Acid SCHEMBL8871371 0.77 L3MBTL1 (0.40) MEN1KMT2A

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-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed