SCHEMBL9709040

SCHEMBL9709040

O=C(CC1NCCS1)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.46
FUCA1 P04066 1/20 0.46
POLB P06746 1/20 0.46
MC4R P32245 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
EGFR P00533 1/20 0.45
SRC P12931 1/20 0.45
MCL1 Q07820 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL8790882 0.77 MC4R (0.55) MC4RALDH1A1HPGDUSP2HTT
SCHEMBL7779326 0.75 MEN1 (0.42) MEN1KMT2AALDH1A1
SCHEMBL9709150 0.73 FAAH (0.39) MEN1KMT2AMAPT
SCHEMBL5265103 0.72 RAB9A (0.73) RAB9ANPC1GAAFUCA1POLB
SCHEMBL21162505 0.72 MC4R (0.52) RAB9ANPC1GAAFUCA1POLB
SCHEMBL7942663 0.72 MC4R (0.36) MC4RMEN1KMT2AHPGD
SCHEMBL228875 0.72 POLB (0.44) POLB
Hydrochloric Acid SCHEMBL1532746 0.71 RAB9A (0.71) RAB9ANPC1GAAFUCA1POLB
SCHEMBL13381633 0.71 GLA (0.61) RAB9ANPC1GAAPOLBMEN1
SCHEMBL9604373 0.70 NPY1R (0.42) RAB9ANPC1GAAPOLBMC4R

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-1992020665-A1 THIAZOLIDINE DERIVATIVES AND THEIR USE IN THERAPY GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed