SCHEMBL9845576

SCHEMBL9845576

CC1(C)CN(C2=CCCC2=O)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
CASP6 P55212 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ESPL1 Q14674 3/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK1 Q13464 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL9147151 0.91 CASP6 (0.38) AKR1B1MALT1CASP6POLBAPEX1
SCHEMBL9145488 0.82 BACE1 (0.38) MALT1TDP1ALDH1A1NPC1RAB9A
SCHEMBL9146937 0.80 ABCC9 (0.36) MALT1LMNAKDM4E
SCHEMBL4268382 0.77 MAPT (0.43) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL9143544 0.74 AKR1B1 (0.42) AKR1B1MALT1CASP6TDP1ALDH1A1
SCHEMBL9143665 0.74 AKR1B1 (0.43) AKR1B1MALT1CASP6POLBAPEX1
SCHEMBL4260665 0.73 L3MBTL1 (0.46) AKR1B1ALDH1A1MAPTKMT2AMEN1
SCHEMBL9725698 0.73 MAPT (0.42) AKR1B1CASP6POLBALDH1A1NPC1
SCHEMBL9145462 0.72 POLB (0.41) AKR1B1MALT1CASP6POLBAPEX1
SCHEMBL9147214 0.71 POLB (0.41) AKR1B1MALT1CASP6POLBAPEX1

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
EP-0432893-A2 Benzoxazine derivatives, their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-06-19 EP disclosed