SCHEMBL29558998

SCHEMBL29558998

COC(=O)c1ccc(Br)c2ccsc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
NR4A2 P43354 1/20 0.37
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL24946534 1.00 KMT2A (0.41) KMT2AMEN1SMN1; SMN2KDM4ECA12
SCHEMBL12565526 0.82 KMT2A (0.42) KMT2AMEN1SMN1; SMN2KDM4ECA12
SCHEMBL3817412 0.81 KMT2A (0.41) KMT2AMEN1SMN1; SMN2KDM4ECA12
SCHEMBL30753220 0.77 TSHR (0.39) KMT2AMEN1SMN1; SMN2KDM4ENPC1
SCHEMBL14126104 0.77 POLB (0.39) KMT2AMEN1SMN1; SMN2KDM4ENPC1
SCHEMBL30753222 0.77 TSHR (0.39) KMT2AMEN1SMN1; SMN2KDM4ENPC1
SCHEMBL30753217 0.75 NR4A2 (0.45) KMT2AMEN1SMN1; SMN2KDM4ENR4A2
SCHEMBL20509597 0.74 KMT2A (0.41) KMT2AMEN1SMN1; SMN2KDM4ECA12
SCHEMBL30753230 0.74 TSHR (0.39) KMT2AMEN1SMN1; SMN2KDM4ENPC1
SCHEMBL869550 0.73 BRD4 (0.50) KMT2AMEN1KDM4ECA1CA2

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
CN-113480534-B Benzimidazole or azabenzimidazole-6-carboxylic acid compounds and application thereof 广州必贝特医药股份有限公司 2022-05-13 CN disclosed