SCHEMBL5227559

SCHEMBL5227559

CNC(C)C(=O)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.53
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
CES2 O00748 2/20 0.51
CES1 P23141 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KEAP1 Q14145 1/20 0.51
MAPT P10636 2/20 0.50
HDAC1 Q13547 1/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 3/20 0.45
TSHR P16473 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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 SCHEMBL6251045 0.98 DAO (0.52) DAORAB9ANPC1ALDH1A1HPGD
Dimethylamine SCHEMBL28473067 0.83 CES2 (0.57) DAORAB9ANPC1ALDH1A1HPGD
SCHEMBL16165804 0.82 DAO (0.55) DAORAB9ANPC1ALDH1A1HPGD
SCHEMBL1937375 0.80 RAB9A (0.58) DAORAB9ANPC1ALDH1A1HPGD
SCHEMBL619898 0.80 CES2 (0.64) DAORAB9ANPC1ALDH1A1HPGD
SCHEMBL23793030 0.79 RAB9A (0.56) DAORAB9ANPC1ALDH1A1HPGD
SCHEMBL14490190 0.79 CES2 (0.61) DAORAB9ANPC1ALDH1A1HPGD
SCHEMBL29077328 0.79 CES2 (0.61) DAORAB9ANPC1ALDH1A1HPGD
SCHEMBL6197413 0.79 RAB9A (0.56) DAORAB9ANPC1ALDH1A1HPGD
SCHEMBL2956379 0.77 RAB9A (0.55) DAORAB9ANPC1ALDH1A1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032683-B Insecticidal proteins from plants and methods of use thereof 先锋国际良种公司 2024-12-17 CN disclosed
CN-119060146-A Insecticidal proteins and methods of use thereof 先锋国际良种公司 2024-12-03 CN disclosed
CN-116003396-B N- (4-indolyl) thiazole salt and application thereof 昆明理工大学 2024-04-05 CN disclosed
CN-116003396-A N- (4-indolyl) thiazole salt and application thereof 昆明理工大学 2023-04-25 CN disclosed
CN-109689058-B Treatment and prevention of sleep disorders 普渡制药公司 2022-03-22 CN disclosed
EP-1868983-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2007-12-26 EP disclosed
WO-2006087166-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2006-08-24 WO disclosed
EP-1566383-A1 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols Lonza AG (CH) 2005-08-24 EP disclosed