SCHEMBL9757641

SCHEMBL9757641

CCCSCCn1c(=N)sc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KCNQ3 O43525 16/20 0.40
KCNQ2 O43526 16/20 0.40
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
Hydrochloric Acid SCHEMBL9757456 0.99 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL8650194 0.93 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9757393 0.92 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL9780233 0.89 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL1393108 0.88 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9780264 0.87 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL6255293 0.87 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Bromide SCHEMBL9757460 0.87 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9757605 0.85 KCNQ3 (0.41) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL9471831 0.85 SMN1; SMN2 (0.42) 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