SCHEMBL9780277

SCHEMBL9780277

N=c1sc2cc(OC(F)(F)F)ccc2n1CCSc1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 11/20 0.36
KCNQ2 O43526 11/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TP53 P04637 2/20 0.33
RUNX1 Q01196 1/20 0.33
CBFB Q13951 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL9780285 0.89 NPC1 (0.38) KCNQ3KCNQ2MAPTSMN1; SMN2ALDH1A1
SCHEMBL9780367 0.84 KCNQ3 (0.35) KCNQ3KCNQ2MAPTSMN1; SMN2ALDH1A1
SCHEMBL9780333 0.84 KCNQ3 (0.41) KCNQ3KCNQ2MAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9780239 0.83 KCNQ3 (0.40) KCNQ3KCNQ2MAPTSMN1; SMN2ALDH1A1
SCHEMBL9780188 0.82 KCNQ3 (0.36) KCNQ3KCNQ2MAPTSMN1; SMN2ALDH1A1
Bromide SCHEMBL9757460 0.81 SMN1; SMN2 (0.41) KCNQ3KCNQ2MAPTSMN1; SMN2ALDH1A1
SCHEMBL1393108 0.80 SMN1; SMN2 (0.43) KCNQ3KCNQ2MAPTSMN1; SMN2ALDH1A1
SCHEMBL9780275 0.79 KCNQ3 (0.39) KCNQ3KCNQ2MAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6255293 0.79 SMN1; SMN2 (0.42) KCNQ3KCNQ2MAPTSMN1; SMN2ALDH1A1
SCHEMBL9780356 0.78 KCNQ3 (0.35) KCNQ3KCNQ2MAPTSMN1; SMN2ALDH1A1

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