SCHEMBL8660740

SCHEMBL8660740

C[S+]([O-])CCCn1c(=N)sc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KCNQ3 O43525 16/20 0.39
KCNQ2 O43526 16/20 0.39
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
SLC6A2 P23975 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
SCHEMBL1393374 0.94 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9757475 0.93 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL8651643 0.87 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL8662232 0.85 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9757484 0.84 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9757544 0.84 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL9780233 0.83 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL9471606 0.82 KCNQ3 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL9471831 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL9780326 0.81 KCNQ3 (0.40) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863756-A1 USE OF 2-IMINOBENZOTHIAZOLINES FOR TREATING PARKINSON'S DISEASE AND PARKINSONIAN SYNDROMES Aventis Pharma S.A. (FR) 1998-09-16 EP claimed
WO-1997020558-A1 USE OF 2-IMINOBENZOTHIAZOLINES FOR TREATING PARKINSON'S DISEASE AND PARKINSONIAN SYNDROMES RHONE-POULENC RORER S.A. (FR) 1997-06-12 WO claimed
US-5240948-A Anticonvulsants, nervous system disorders, conditions induced by glutamate RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-08-31 US claimed
US-5240948-A Anticonvulsants, nervous system disorders, conditions induced by glutamate RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-08-31 US disclosed