SCHEMBL23601080

SCHEMBL23601080

Cc1cccc2c1CCCN2c1nc2nncn2c2cc(F)cc(F)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.36
STAT3 P40763 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ESR1 P03372 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 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
SCHEMBL29909137 0.90 MAPT (0.39) MAPTPOLBKMT2ASTAT3KDM4E
SCHEMBL23577020 0.90 MAPT (0.39) MAPTPOLBKMT2ASTAT3KDM4E
SCHEMBL23601035 0.89 MAPT (0.43) MAPTPOLBKMT2ASTAT3KDM4E
SCHEMBL23601478 0.85 MAPT (0.42) MAPTPOLBKMT2ASTAT3KDM4E
SCHEMBL23601726 0.84 MAPT (0.40) MAPTPOLBKMT2ASTAT3KDM4E
SCHEMBL23601079 0.83 KDM4E (0.34) MAPTKDM4ERXRARXRBRXRG
SCHEMBL23601474 0.83 MAPT (0.41) MAPTPOLBKMT2ASTAT3KDM4E
SCHEMBL23601083 0.82 MAPT (0.39) MAPTPOLBKMT2ASTAT3KDM4E
SCHEMBL23601778 0.82 MAPT (0.39) MAPTPOLBKMT2ASTAT3KDM4E
SCHEMBL29909054 0.81 MAPT (0.33) MAPTKMT2ASTAT3

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed