SCHEMBL23063244

SCHEMBL23063244

COc1ccc(Cn2nc(Br)nc2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPBWR1 P48145 3/20 0.43
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ FAAH O00519 1/20 0.40

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 0.86 MMP9 (0.41) MAPTNPBWR1HTTALDH1A1SMN1; SMN2
SCHEMBL23063153 0.84 TAS2R14 (0.40) MAPTKDM4EKMT2ANPBWR1MEN1
SCHEMBL23063346 0.77 KDM4E (0.48) MAPTKDM4EKMT2ALMNAHTT
SCHEMBL6637022 0.75 KDM4E (0.45) MAPTKDM4ENPBWR1LMNAHTT
SCHEMBL23508463 0.73 KDM4E (0.43) MAPTKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL16014513 0.73 MAPT (0.50) MAPTKDM4EKMT2ANPBWR1ALDH1A1
SCHEMBL24569765 0.72 KDM4E (0.42) MAPTKDM4ENPBWR1ALDH1A1SMN1; SMN2
SCHEMBL15538235 0.72 CMA1 (0.43) MAPTKDM4ENPBWR1LMNAALDH1A1
SCHEMBL23063436 0.71 DGAT1 (0.35) MAPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL24569972 0.71 PDE8B (0.42) MAPTNPBWR1ALDH1A1L3MBTL1CYP1A2

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-112533913-A Novel compounds 英夫拉索姆有限公司 2021-03-19 — — CN disclosed
EP-3788041-A1 NOVEL COMPOUNDS Inflazome Limited (IE) 2021-03-10 — — EP disclosed
Send feedback