SCHEMBL9840943

SCHEMBL9840943

O=C(O)c1nc2ccc(O)c(O)c2nc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
PIM1 P11309 5/20 0.38
RNASEH1 O60930 2/20 0.34
PTPN11 Q06124 1/20 0.34
GPR35 Q9HC97 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MCL1 Q07820 1/20 0.33
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33

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
SCHEMBL5984487 0.73 ACHE (0.39) ALDH1A1MAPTPIM1KDM4EKMT2A
SCHEMBL9319282 0.70 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2SELLSELP
SCHEMBL31070283 0.69 MAPT (0.63) ALDH1A1MAPTKDM4EKMT2AACHE
SCHEMBL29966114 0.69 MAPT (0.63) ALDH1A1MAPTKDM4EKMT2AACHE
SCHEMBL6881938 0.69 MAPT (0.63) ALDH1A1MAPTKDM4EKMT2AACHE
SCHEMBL31279731 0.68 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL2745093 0.68 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL17866966 0.68 ACHE (0.75) ALDH1A1MAPTKMT2AACHE
SCHEMBL28226188 0.68 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2PIM1KDM4E
SCHEMBL29860539 0.68 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2PIM1KDM4E

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
US-5019570-A Antibioics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-28 US disclosed