SCHEMBL9757530

SCHEMBL9757530

CC(N(C)C)n1c(=N)sc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 15/20 0.43
KCNQ2 O43526 15/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SLC6A3 Q01959 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL9780567 0.81 KCNQ3 (0.40) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL6251438 0.78 SMN1; SMN2 (0.68) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9757465 0.75 SMN1; SMN2 (0.43) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9780209 0.74 SMN1; SMN2 (0.43) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL8650311 0.73 KCNQ3 (0.40) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9780233 0.73 SMN1; SMN2 (0.46) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
Bromide SCHEMBL9757461 0.72 KCNQ3 (0.40) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL8651427 0.72 KCNQ3 (0.43) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9757473 0.72 KCNQ3 (0.43) KCNQ3KCNQ2SMN1; SMN2ALDH1A1MAPT
SCHEMBL8661581 0.72 KCNQ3 (0.39) 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 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