SCHEMBL9686135

SCHEMBL9686135

CN1C[S+]([O-])c2cc(Cc3ccccc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.38
CALM1 P0DP23 1/20 0.36
LTA4H P09960 9/20 0.36
SIGMAR1 Q99720 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL9686026 0.87 LTA4H (0.35) LTA4H
SCHEMBL8948208 0.78 SIGMAR1 (0.44) SIGMAR1
SCHEMBL8109679 0.78 MAPT (0.41) SIGMAR1
Hydrochloric Acid SCHEMBL8871802 0.76 LMNA (0.38)
SCHEMBL9684037 0.75 S1PR1 (0.38) SIGMAR1
SCHEMBL3642123 0.75 ACHE (0.33)
SCHEMBL9684946 0.74 BCHE (0.37) RIPK1
Hydrochloric Acid SCHEMBL8871371 0.73 L3MBTL1 (0.40) SIGMAR1
SCHEMBL9684637 0.71 IRAK4 (0.33)
Hydrochloric Acid SCHEMBL8958468 0.69 BLM (0.37) SIGMAR1

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