SCHEMBL28827607

SCHEMBL28827607

O=S(=O)(n1nnc2cc(Cl)ccc21)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
CYP2C19 P33261 1/20 0.44
CHEK1 O14757 1/20 0.44
LIMK1 P53667 1/20 0.44
MAPK14 Q16539 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
KCNMA1 Q12791 2/20 0.43
CNR1 P21554 9/20 0.41
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CRHBP P24387 1/20 0.40
RECQL P46063 1/20 0.40
CRHR2 Q13324 1/20 0.40
CNR2 P34972 3/20 0.36
SLC9A1 P19634 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL29887341 1.00 L3MBTL1 (0.49) L3MBTL1CYP2C19CHEK1LIMK1MAPK14
SCHEMBL28827610 0.88 CYP2C19 (0.44) L3MBTL1CYP2C19CHEK1LIMK1MAPK14
SCHEMBL29887261 0.83 KCNMA1 (0.44) L3MBTL1CYP2C19KCNMA1TSHRSMN1; SMN2
SCHEMBL28827605 0.83 KCNMA1 (0.44) L3MBTL1CYP2C19KCNMA1TSHRSMN1; SMN2
SCHEMBL29105064 0.81 GAA (0.39) L3MBTL1CYP2C19CNR1TSHRSMN1; SMN2
SCHEMBL30678494 0.81 GAA (0.39) L3MBTL1CYP2C19CNR1TSHRSMN1; SMN2
SCHEMBL29887566 0.78 L3MBTL1 (0.52) L3MBTL1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL28827609 0.78 L3MBTL1 (0.52) L3MBTL1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL23037117 0.78 SLC9A1 (0.58) CYP2C19KCNMA1TSHRSMN1; SMN2CRHBP
SCHEMBL29105055 0.76 SLC9A1 (0.32) SLC9A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969901-A Preparation method of 1,2,4-benzotriazine derivative 浙江师范大学 2023-10-31 CN disclosed
CN-114957145-B 1,2,4-benzotriazine derivative and preparation method thereof 浙江师范大学 2023-07-18 CN disclosed
CN-114957145-A 1,2,4-benzotriazine derivative and preparation method thereof 浙江师范大学 2022-08-30 CN disclosed