SCHEMBL23063153

SCHEMBL23063153

COc1ccc(Cn2nc(Br)nc2S(=O)(=O)c2cccc(CN(C)C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 3/20 0.40
▸ PDE1B Q01064 2/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ NPBWR1 P48145 2/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL23063518 0.89 MMP9 (0.41) TAS2R14PDE1BMMP1MMP9MMP13
SCHEMBL23063244 0.84 MAPT (0.46) NPBWR1MAPTKMT2AKDM4EMEN1
SCHEMBL6637022 0.68 KDM4E (0.45) NPBWR1MAPTKDM4E
Hydrochloric Acid SCHEMBL6581311 0.67 NR1H3 (0.65) ADORA2AMAPTKDM4E
Hydrochloric Acid SCHEMBL6580895 0.67 NR1H3 (0.59) ADORA2A
SCHEMBL15556088 0.67 MAPT (0.40) NPBWR1ADORA2AMAPTKMT2AKDM4E
SCHEMBL24569975 0.66 TSPO (0.42) NPBWR1KMT2AMEN1
SCHEMBL17397875 0.66 HTR6 (0.40) KMT2AMEN1
SCHEMBL16014513 0.66 MAPT (0.50) PDE1BNPBWR1MAPTKMT2AKDM4E
SCHEMBL23508463 0.66 KDM4E (0.43) MAPTKDM4E

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
EP-3788041-A1 NOVEL COMPOUNDS Inflazome Limited (IE) 2021-03-10 — — EP disclosed
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