SCHEMBL29095935

SCHEMBL29095935

O=C(CBr)Nc1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.72
HDAC3 O15379 1/20 0.71
HDAC4 P56524 1/20 0.71
HDAC1 Q13547 1/20 0.71
HDAC7 Q8WUI4 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC10 Q969S8 1/20 0.71
HDAC11 Q96DB2 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
HDAC9 Q9UKV0 1/20 0.71
HDAC5 Q9UQL6 1/20 0.71
CSNK1D P48730 6/20 0.69
WNT3A P56704 1/20 0.60
ACP1 P24666 1/20 0.58
CASP2 P42575 1/20 0.56
CSNK2A2 P19784 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
CSNK2A3 Q8NEV1 1/20 0.55

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
SCHEMBL30522063 1.00 DYRK1A (0.72) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL21729400 0.88 DYRK1A (0.76) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL15272025 0.88 DYRK1A (0.72) DYRK1AHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL18190885 0.87 DYRK1A (0.71) DYRK1AHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL18154130 0.87 DYRK1A (0.71) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18154477 0.86 DYRK1A (0.81) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL15271101 0.86 HDAC3 (0.75) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18154195 0.86 RAB9A (0.75) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18154125 0.86 DYRK1A (0.73) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18163695 0.85 DYRK1A (0.71) DYRK1AHDAC3HDAC4HDAC1HDAC7

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