SCHEMBL19015041

SCHEMBL19015041

CCCCC#Cc1ccc2c3c(cccc13)C(O)N(OS(C)(=O)=O)C2=O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ RGS12 O14924 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DYRK3 O43781 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30
▸ EPHA2 P29317 1/20 0.30
▸ FLT4 P35916 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30

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
SCHEMBL18069175 0.81 TDP1 (0.40) BRD4MEN1RGS12USP2POLB
SCHEMBL19135192 0.80 NOD2 (0.31) TDP1
SCHEMBL21201790 0.78 ELANE (0.38) BRD4MEN1RGS12USP2POLB
SCHEMBL18069183 0.77 TDP1 (0.39) BRD4MEN1RGS12USP2POLB
SCHEMBL24225980 0.75 MEN1 (0.31) MEN1POLBMAPTKMT2AL3MBTL1
SCHEMBL18069180 0.74 KMT2A (0.48) BRD4MEN1RGS12USP2POLB
SCHEMBL18069178 0.74 MEN1 (0.39) BRD4MEN1RGS12USP2POLB
SCHEMBL18069191 0.73 BRD4 (0.40) BRD4MEN1RGS12USP2POLB
SCHEMBL22972531 0.72 KDM4E (0.41) MEN1POLBMAPTHTTKMT2A
SCHEMBL18576631 0.72 MEN1 (0.34) BRD4MEN1POLBMAPTKMT2A

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-3182203-A1 A COMBINATION OF NIT DERIVATIVES WITH SENSITIZERS Heraeus Precious Metals North America Daychem LLC (US) 2017-06-21 — — EP disclosed
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