SCHEMBL2374293

SCHEMBL2374293

CC(=O)Nc1ccc2nc3ccccc3nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 1.00
NPC1 O15118 8/20 1.00
KDM4E B2RXH2 8/20 1.00
RAB9A P51151 8/20 1.00
KMT2A Q03164 7/20 1.00
MEN1 O00255 6/20 1.00
PABPC1 P11940 1/20 1.00
GLA P06280 1/20 0.69
TNNI3 P19429 1/20 0.69
TNNT2 P45379 1/20 0.69
TNNC1 P63316 1/20 0.69
RUNX1 Q01196 1/20 0.69
CBFB Q13951 1/20 0.69
SMN1; SMN2 Q16637 5/20 0.66
TP53 P04637 2/20 0.66
SAE1 Q9UBE0 1/20 0.59
UBA2 Q9UBT2 1/20 0.59
POLB P06746 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KDM1A O60341 1/20 0.58

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
SCHEMBL24999593 0.88 MAPT (0.78) MAPTNPC1KDM4ERAB9AKMT2A
SCHEMBL9613366 0.86 KDM4E (0.75) MAPTNPC1KDM4ERAB9AKMT2A
SCHEMBL9613310 0.85 KDM4E (0.74) MAPTNPC1KDM4ERAB9AKMT2A
SCHEMBL18075701 0.81 KDM4E (1.00) MAPTNPC1KDM4ERAB9AKMT2A
SCHEMBL12311048 0.81 RAB9A (0.69) MAPTNPC1KDM4ERAB9AKMT2A
SCHEMBL17154455 0.81 KMT2A (0.68) MAPTNPC1KDM4ERAB9AKMT2A
SCHEMBL28793880 0.81 KDM4E (0.68) MAPTNPC1KDM4ERAB9AKMT2A
SCHEMBL17154375 0.80 KMT2A (0.66) MAPTNPC1KDM4ERAB9AKMT2A
SCHEMBL4163110 0.80 KMT2A (0.66) MAPTNPC1KDM4ERAB9AKMT2A
SCHEMBL4159315 0.80 KDM4E (0.66) MAPTNPC1KDM4ERAB9AKMT2A

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-2011119798-A1 METHODS FOR REDUCING SUPEROXIDE ANIONS IN EUKARYOTIC ORGANISMS HEALTH RESEARCH, INC. (US) 2011-09-29 WO disclosed