SCHEMBL9780326

SCHEMBL9780326

N=c1sc2cc(OC(F)(F)F)ccc2n1CC[S+]([O-])c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 15/20 0.40
KCNQ2 O43526 15/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CHRM5 P08912 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL9780565 0.90 KCNQ3 (0.35) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9780275 0.88 KCNQ3 (0.39) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9780356 0.85 KCNQ3 (0.35) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL1393374 0.84 SMN1; SMN2 (0.41) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9757475 0.84 SMN1; SMN2 (0.40) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9422939 0.83 KCNQ3 (0.37) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL8662232 0.83 SMN1; SMN2 (0.40) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9422800 0.82 KCNQ3 (0.40) KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9757484 0.82 SMN1; SMN2 (0.39) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL8660740 0.81 SMN1; SMN2 (0.40) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026717-A Glutamate inhibitors RHONE-POULENC SANTE (FR) 1991-06-25 US disclosed
US-4980356-A ANTICONVULSANTS; ANTISPASMODIC AGENTS; MUSCULAR AND NERVOUS SYSTEMS DISORDERS RHONE-POULENC SANTE (FR) 1990-12-25 US disclosed