SCHEMBL29095932

SCHEMBL29095932

O=C(CBr)Nc1nc2ccc(O)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.68
DYRK2 Q92630 1/20 0.67
HSD17B1 P14061 7/20 0.63
HSD17B2 P37059 6/20 0.60
DYRK1B Q9Y463 2/20 0.60
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
HSD17B10 Q99714 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACP1 P24666 1/20 0.52

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
SCHEMBL30522064 1.00 DYRK1A (0.68) DYRK1ADYRK2HSD17B1HSD17B2DYRK1B
SCHEMBL30522062 0.84 PDPK1 (0.68) DYRK1ACYP2C9CYP2C19RAB9ANPC1
SCHEMBL29500269 0.84 RAB9A (0.72) DYRK1AHSD17B10RAB9ANPC1TP53
SCHEMBL8348837 0.84 PDPK1 (0.68) DYRK1ACYP2C9CYP2C19RAB9ANPC1
SCHEMBL28384921 0.84 RAB9A (0.72) DYRK1AHSD17B10RAB9ANPC1TP53
SCHEMBL544349 0.82 DYRK1A (0.75) DYRK1ADYRK2HSD17B1HSD17B2DYRK1B
SCHEMBL29095959 0.81 CSNK1D (0.74) DYRK1ACYP2D6ACP1
SCHEMBL8354539 0.81 PDPK1 (0.64) DYRK1ACYP2C9CYP2C19RAB9ANPC1
SCHEMBL30522065 0.81 CSNK1D (0.74) DYRK1ACYP2D6ACP1
SCHEMBL29500248 0.81 CASP2 (0.77) DYRK1ACYP3A4CYP2C19RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535366-B Thiazole compound and preparation method and application thereof 广州医科大学 2023-12-05 CN disclosed
CN-116535366-A Thiazole compound and preparation method and application thereof 广州医科大学 2023-08-04 CN disclosed