SCHEMBL9780565

SCHEMBL9780565

N=c1sc2cc(OC(F)(F)F)ccc2n1CC[S+]([O-])c1ccncc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 14/20 0.35
KCNQ2 O43526 14/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL9780326 0.90 KCNQ3 (0.40) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9780275 0.86 KCNQ3 (0.39) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9780356 0.83 KCNQ3 (0.35) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL1393374 0.83 SMN1; SMN2 (0.41) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9757475 0.82 SMN1; SMN2 (0.40) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL8662232 0.81 SMN1; SMN2 (0.40) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9422800 0.81 KCNQ3 (0.40) KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9757484 0.80 SMN1; SMN2 (0.39) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL8660740 0.80 SMN1; SMN2 (0.40) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9780188 0.79 KCNQ3 (0.36) 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