SCHEMBL9168071

SCHEMBL9168071

CCCCCCCc1cccc(N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.50
MCL1 Q07820 3/20 0.50
BCL2L1 Q07817 2/20 0.50
BAK1 Q16611 2/20 0.50
KAT8 Q9H7Z6 2/20 0.50
SAE1 Q9UBE0 2/20 0.50
PPARA Q07869 2/20 0.50
LIPG Q9Y5X9 1/20 0.50
PPARG P37231 1/20 0.50
EP300 Q09472 1/20 0.50
KAT2A Q92830 1/20 0.50
KAT2B Q92831 1/20 0.50
KAT5 Q92993 1/20 0.50
TLR8 Q9NR97 5/20 0.46
KCNH2 Q12809 2/20 0.46
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
MMP2 P08253 2/20 0.43
F7 P08709 2/20 0.43
F3 P13726 2/20 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
SCHEMBL8088586 1.00 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9168753 1.00 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL10526794 1.00 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9163528 1.00 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11722829 1.00 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9166810 1.00 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28748793 1.00 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL4763408 0.98 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL659538 0.92 TLR8 (0.42) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL3957214 0.90 LIPG (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431756-B1 Polyol and rigid polyurethane foam MITSUI TOATSU CHEMICALS (JP) 1995-04-05 EP disclosed
US-5246978-A Thermal insulation material; epoxy resin based, phenolic resin based or aromatic amine based polyol component MITSUI TOATSU CHEMICALS, INC. (JP) 1993-09-21 US disclosed
EP-0431756-A2 Polyol and rigid polyurethane foam MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-12 EP disclosed