SCHEMBL4744539

SCHEMBL4744539

O=C(Cc1ccc(O)cc1)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.56
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.50
APP P05067 1/20 0.50
GAA P10253 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
PLOD3 O60568 1/20 0.50
PLOD1 Q02809 1/20 0.50
CYP19A1 P11511 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ESR1 P03372 2/20 0.49
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
SARM1 Q6SZW1 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT6 Q8N6T7 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
SCHEMBL3059074 0.86 PLOD2 (0.59) PLOD2NPC1RAB9AALDH1A1APP
SCHEMBL360711 0.86 PLOD2 (0.69) PLOD2NPC1RAB9AALDH1A1APP
SCHEMBL2511934 0.85 KMT2A (0.55) PLOD2NPC1RAB9AALDH1A1APP
SCHEMBL11825208 0.85 TSHR (0.62) PLOD2NPC1RAB9AALDH1A1GAA
SCHEMBL2662937 0.85 GAA (0.57) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL5424552 0.85 MAPT (0.57) PLOD2NPC1RAB9AALDH1A1APP
SCHEMBL29861055 0.85 KMT2A (0.55) PLOD2NPC1RAB9AALDH1A1APP
Hydrochloric Acid SCHEMBL11169565 0.85 PLOD2 (0.67) PLOD2NPC1RAB9AALDH1A1APP
Bromide SCHEMBL11040809 0.85 PLOD2 (0.67) PLOD2NPC1RAB9AALDH1A1APP
SCHEMBL31326722 0.84 NAPRT (0.65) PLOD2NPC1RAB9AALDH1A1APP

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-2008115141-A1 4, 5-DIHYDRO-1,3-THIAZOL-2-AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-09-25 WO disclosed