SCHEMBL23601035

SCHEMBL23601035

Cc1cccc2c1CCCN2c1nc2nncn2c2cccc(F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KMT2A Q03164 2/20 0.40
STAT3 P40763 1/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ESR1 P03372 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
TP53 P04637 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL23601478 0.90 MAPT (0.42) MAPTKMT2ASTAT3KDM4EPOLB
SCHEMBL30047664 0.90 MAPT (0.43) MAPTKMT2ASTAT3KDM4EPOLB
SCHEMBL23601080 0.89 MAPT (0.39) MAPTKMT2ASTAT3KDM4EPOLB
SCHEMBL23601474 0.87 MAPT (0.41) MAPTKMT2ASTAT3KDM4EPOLB
SCHEMBL23601021 0.84 MAPT (0.44) MAPTKMT2ASTAT3KDM4EPOLB
SCHEMBL23601999 0.84 MAPT (0.37) MAPTKMT2ASTAT3KDM4EHPGD
SCHEMBL31229669 0.83 MAPT (0.37) MAPTKMT2ASTAT3KDM4ESMN1; SMN2
SCHEMBL23601726 0.83 MAPT (0.40) MAPTKMT2ASTAT3KDM4EPOLB
SCHEMBL23601082 0.82 MAPT (0.39) MAPTKMT2ASTAT3KDM4ERXRA
SCHEMBL23601083 0.82 MAPT (0.39) MAPTKMT2ASTAT3KDM4EPOLB

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