SCHEMBL28482218

SCHEMBL28482218

O=CC1Nc2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TNKS2 Q9H2K2 7/20 0.40
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FER P16591 1/20 0.38
▸ LTK P29376 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ S100A4 P26447 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 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
SCHEMBL16163130 0.82 LMNA (0.43) TSHRLMNATNKS2MAOAMAOB
SCHEMBL28432130 0.73 TNKS2 (0.33) TSHRLMNATNKS2NOS2
SCHEMBL6557130 0.73 TSHR (0.50) TSHRLMNATNKS2MAOAMAOB
SCHEMBL19568178 0.73 TSHR (0.50) TSHRLMNATNKS2MAOAMAOB
SCHEMBL28402527 0.72 HPGD (0.44) LMNATNKS2MAOAMAOBKMT2A
SCHEMBL21627156 0.70 LMNA (0.38) TSHRLMNATNKS2MAOAMAOB
SCHEMBL29260588 0.70 GAA (0.33) TNKS2KMT2AMEN1L3MBTL1NOS2
SCHEMBL19492450 0.70 TSHR (0.47) TSHRLMNATNKS2MAOAMAOB
SCHEMBL31739367 0.70 TSHR (0.47) TSHRLMNATNKS2MAOAMAOB
SCHEMBL5807797 0.70 LMNA (0.47) TSHRLMNATNKS2MAOAMAOB

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-111875532-A Preparation method of 4-bromo-3-hydroxy-3-difluorobenzenesulfonyl-1-methylindoline-2-one compound 上海应用技术大学 2020-11-03 — — CN disclosed
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