SCHEMBL19637028

SCHEMBL19637028

CCCCCCCCCCCCCCOCCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
DNM1 Q05193 3/20 0.42
CES2 O00748 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39

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
SCHEMBL9549348 0.95 HTT (0.54) MEN1THRBHTTKMT2AMAPT
SCHEMBL12120266 0.95 HTT (0.54) MEN1THRBHTTKMT2AMAPT
SCHEMBL12120261 0.95 HTT (0.54) MEN1THRBHTTKMT2AMAPT
SCHEMBL10422513 0.95 HTT (0.54) MEN1THRBHTTKMT2AMAPT
SCHEMBL12120263 0.95 HTT (0.54) MEN1THRBHTTKMT2AMAPT
SCHEMBL9705223 0.95 DNM1 (0.46) MEN1THRBHTTKMT2AMAPT
SCHEMBL9549114 0.95 HTT (0.54) MEN1THRBHTTKMT2AMAPT
Hydrochloric Acid SCHEMBL10723993 0.93 HTT (0.52) MEN1THRBHTTKMT2AMAPT
SCHEMBL64901 0.93 HTT (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL27445853 0.91 DNM1 (0.42) MEN1THRBHTTKMT2AMAPT

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
WO-2017201347-A1 POLYNUCLEOTIDES ENCODING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR FOR THE TREATMENT OF CYSTIC FIBROSIS MODERNATX, INC. (US) 2017-11-23 WO disclosed