SCHEMBL5798106

SCHEMBL5798106

COc1ccc(-c2c(O)nc(SCC(=O)Nc3nc4ccccc4s3)[nH]c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.60
▸ MAPT P10636 13/20 0.59
▸ KMT2A Q03164 8/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ALDH1A1 P00352 7/20 0.58
▸ USP2 O75604 1/20 0.57
▸ HPGD P15428 1/20 0.56
▸ POLB P06746 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ MEN1 O00255 5/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ SCD O00767 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ANO1 Q5XXA6 1/20 0.51
▸ ANO2 Q9NQ90 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL17383127 0.75 MAPT (0.66) TDP1MAPTKMT2AALDH1A1HPGD
SCHEMBL2527359 0.74 MAPT (0.62) MAPTKMT2ASMN1; SMN2ALDH1A1USP2
SCHEMBL26534954 0.73 MAPT (0.62) TDP1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13196814 0.73 MAPT (0.62) TDP1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4933314 0.73 KMT2A (0.69) TDP1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2754053 0.72 SCD (0.93) MAPTKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2406227 0.70 MAPT (0.58) MAPTKMT2ASMN1; SMN2ALDH1A1USP2
SCHEMBL4910026 0.70 NPC1 (1.00) MAPTKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7944975 0.69 MEN1 (0.74) MAPTKMT2ASMN1; SMN2ALDH1A1USP2
SCHEMBL15288025 0.69 MAPT (0.71) MAPTKMT2ASMN1; SMN2ALDH1A1HPGD

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
WO-2006019586-A2 METHOD OF TREATING TRAUMA OR SEPSIS HAUSER CARL J (US) 2006-02-23 — — WO disclosed
Send feedback