SCHEMBL9757465

SCHEMBL9757465

CN(C)CCn1c(=N)sc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KCNQ3 O43525 16/20 0.41
KCNQ2 O43526 16/20 0.41
SIGMAR1 Q99720 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL9780233 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL8793858 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Bromide SCHEMBL9757686 0.85 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9422856 0.84 SIGMAR1 (0.46) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL9422899 0.84 KCNQ3 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9423134 0.83 SLC6A3 (0.46) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL1393108 0.83 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Bromide SCHEMBL9422839 0.82 KCNQ3 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL9471606 0.82 KCNQ3 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9780209 0.82 SMN1; SMN2 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008280-A Treatment of glutamate-induced convulsions, schizophrenia RHONE-POULENC SANTE (FR) 1991-04-16 US disclosed