SCHEMBL28035905

SCHEMBL28035905

CCCCCCCCCc1c(N)cccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.47
MCL1 Q07820 3/20 0.47
BCL2L1 Q07817 2/20 0.47
BAK1 Q16611 2/20 0.47
KAT8 Q9H7Z6 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
EP300 Q09472 1/20 0.47
KAT2A Q92830 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT5 Q92993 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TYR P14679 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL11250153 1.00 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11482542 1.00 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8379228 1.00 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11486890 1.00 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL1568283 0.98 BID (0.45) BIDMCL1BCL2L1BAK1KAT8
Formaldehyde SCHEMBL10667790 0.95 BID (0.48) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL1026540 0.93 HTT (0.46) BIDMCL1BCL2L1BAK1KAT8
Sulfuric Acid SCHEMBL9118744 0.92 BID (0.46) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL4837086 0.91 BID (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL22501541 0.87 BID (0.54) BIDMCL1BCL2L1BAK1KAT8

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
CN-105102422-A Method for producing isocyanate ASAHI KASEI CHEMICALS CORP 2015-11-25 CN disclosed