SCHEMBL28859616

SCHEMBL28859616

Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(N)n3)c3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ FLT3 P36888 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ UBE2N P61088 1/20 0.52
▸ HTR6 P50406 9/20 0.52
▸ DRD2 P14416 4/20 0.52
▸ HTR2A P28223 3/20 0.52
▸ HTR7 P34969 3/20 0.52
▸ DYRK1A Q13627 2/20 0.51
▸ CYP19A1 P11511 2/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ ALDH3A1 P30838 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NOD1 Q9Y239 1/20 0.45
▸ KLK7 P49862 1/20 0.45

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
SCHEMBL28216508 0.89 L3MBTL1 (0.60) L3MBTL1FLT3KDM4EUBE2NHTR6
SCHEMBL25422412 0.87 DYRK1B (0.48) L3MBTL1FLT3KDM4EUBE2NHTR6
SCHEMBL30461607 0.87 DYRK1B (0.48) L3MBTL1FLT3KDM4EUBE2NHTR6
SCHEMBL15757614 0.81 L3MBTL1 (0.56) L3MBTL1FLT3KDM4EUBE2NHTR6
SCHEMBL30460415 0.81 DYRK1A (0.54) KDM4EHTR6DRD2HTR2AHTR7
SCHEMBL15757712 0.79 L3MBTL1 (0.53) L3MBTL1FLT3KDM4EUBE2NHTR6
SCHEMBL15757304 0.79 L3MBTL1 (0.53) L3MBTL1FLT3KDM4EUBE2NHTR6
SCHEMBL15757553 0.79 L3MBTL1 (0.53) L3MBTL1FLT3KDM4EUBE2NHTR6
SCHEMBL15757671 0.77 L3MBTL1 (0.51) L3MBTL1FLT3KDM4EUBE2NHTR6
SCHEMBL3819496 0.77 HTR6 (0.58) L3MBTL1FLT3HTR6DRD2HTR2A

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-108218838-A Pyrimidine radicals indole derivatives and preparation method thereof and application in preparation of anti-tumor drugs 青岛海洋生物医药研究院股份有限公司 2018-06-29 — — CN disclosed
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