SCHEMBL31331608

SCHEMBL31331608

O=C(NS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 7/20 0.75
MCL1 Q07820 7/20 0.75
FLT1 P17948 3/20 0.63
FLT4 P35916 3/20 0.63
KDR P35968 3/20 0.63
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
KMT2A Q03164 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
P4HTM Q9NXG6 2/20 0.62
PTGS2 P35354 3/20 0.61
PTGS1 P23219 2/20 0.61
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
NPC1 O15118 1/20 0.56

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
SCHEMBL5931288 0.93 FLT1 (0.71) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL25424924 0.89 BCL2L1 (0.70) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL174010 0.89 FLT1 (0.77) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL7278965 0.87 P4HTM (0.65) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL29011132 0.87 FLT1 (0.74) BCL2L1MCL1FLT1FLT4KDR
Potassium SCHEMBL30358590 0.87 FLT1 (0.74) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL15679406 0.84 FLT1 (0.61) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL12489988 0.84 MEN1 (0.66) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL8660071 0.84 MEN1 (0.87) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL8825440 0.84 FLT1 (0.61) BCL2L1MCL1FLT1FLT4KDR

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-119192174-A Novel biphenyl carboxylic FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2024-12-27 CN claimed
CN-119192174-A Novel biphenyl carboxylic FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2024-12-27 CN disclosed