SCHEMBL9103830

SCHEMBL9103830

CCOC(C)=NOCCCCN.O=C1N=NC(=O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.38
PPARA Q07869 3/20 0.33
PPARG P37231 2/20 0.32
ALDH1A1 P00352 4/20 0.32
GLA P06280 1/20 0.32
KMT2A Q03164 1/20 0.32
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
FGFR1 P11362 1/20 0.31
FLT1 P17948 1/20 0.31
FGFR3 P22607 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8509399 0.80 CYP1A2 (0.38) TBXAS1ALDH1A1KMT2A
SCHEMBL9099555 0.80 CYP1A2 (0.38) TBXAS1ALDH1A1KMT2A
SCHEMBL8508167 0.78 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL8508170 0.78 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL8429544 0.66 TDP1 (0.49) ALDH1A1TDP1SMN1; SMN2LMNAGAA
SCHEMBL8429546 0.66 TDP1 (0.49) ALDH1A1TDP1SMN1; SMN2LMNAGAA
SCHEMBL952398 0.64 TBXAS1 (0.35) TBXAS1ALDH1A1
SCHEMBL952400 0.64 TBXAS1 (0.35) TBXAS1ALDH1A1
SCHEMBL17337617 0.64 DGKA (0.47) TBXAS1ALDH1A1KMT2ATDP1GAA
SCHEMBL17337542 0.64 ALDH1A1 (0.48) PPARAPPARGALDH1A1KMT2ATDP1

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-1996040662-A2 AMINOOXY-CONTAINING LINKER COMPOUNDS AND THEIR APPLICATION IN CONJUGATES CELLPRO, INCORPORATED (US) 1996-12-19 WO disclosed