SCHEMBL28270488

SCHEMBL28270488

O=C(ONc1nccs1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SCD O00767 1/20 0.55
LMNA P02545 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
AURKA O14965 1/20 0.51
PIM1 P11309 1/20 0.51
CDK2 P24941 1/20 0.51
GSK3B P49841 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
HPGD P15428 2/20 0.51
THRB P10828 1/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
GCK P35557 1/20 0.49

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
Benzamide SCHEMBL28281665 0.80 RAB9A (0.52) NPC1RAB9ASCDLMNAMEN1
SCHEMBL28858268 0.76 LMNA (0.56) NPC1RAB9ASCDLMNAMEN1
SCHEMBL995829 0.76 NPC1 (1.00) NPC1RAB9ASCDLMNAMEN1
SCHEMBL27591943 0.75 KMT2A (0.52) NPC1RAB9ALMNAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL8457979 0.75 NPC1 (0.52) NPC1RAB9ASCDLMNAMEN1
Hydrochloric Acid SCHEMBL27594584 0.74 NPC1 (0.97) NPC1RAB9ASCDLMNAMEN1
SCHEMBL6713640 0.73 NPC1 (0.71) NPC1RAB9ASCDLMNAMEN1
SCHEMBL9782507 0.72 RBBP9 (0.51) NPC1RAB9ASCDLMNAMEN1
SCHEMBL28520017 0.72 KMT2A (0.69) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL26854309 0.72 NPC1 (0.73) NPC1RAB9ASCDLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109456279-A Thiazoleamino benzamide acetic ester derivative and application thereof 南华大学 2019-03-12 CN claimed
CN-109320473-A Thiazoleamino benzamide acetogenin and application thereof 南华大学 2019-02-12 CN claimed
CN-109456279-A Thiazoleamino benzamide acetic ester derivative and application thereof 南华大学 2019-03-12 CN disclosed
CN-109320473-A Thiazoleamino benzamide acetogenin and application thereof 南华大学 2019-02-12 CN disclosed
CN-109232467-A Thiazoleamino benzoic acid derivative and application thereof 南华大学 2019-01-18 CN disclosed
CN-109232467-A Thiazoleamino benzoic acid derivative and application thereof 南华大学 2019-01-18 CN disclosed
CN-109232467-A Thiazoleamino benzoic acid derivative and application thereof 南华大学 2019-01-18 CN disclosed