SCHEMBL23601778

SCHEMBL23601778

Cc1cccc2c1CCCCN2c1nc2nncn2c2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
POLB P06746 1/20 0.39
DHODH Q02127 3/20 0.39
STAT3 P40763 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ESR1 P03372 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL23601726 0.97 MAPT (0.40) MAPTPOLBDHODHSTAT3KMT2A
SCHEMBL23576783 0.87 MAPT (0.38) MAPTPOLBDHODHSTAT3KMT2A
SCHEMBL29909809 0.87 MAPT (0.38) MAPTPOLBDHODHSTAT3KMT2A
SCHEMBL23601260 0.86 MAPT (0.38) MAPTPOLBDHODHSTAT3KMT2A
SCHEMBL23601016 0.84 MAPT (0.36) MAPTPOLBSTAT3KMT2ASMN1; SMN2
SCHEMBL23601474 0.83 MAPT (0.41) MAPTPOLBSTAT3KMT2AGAA
SCHEMBL23601083 0.83 MAPT (0.39) MAPTPOLBSTAT3KMT2AGAA
SCHEMBL30013879 0.82 STAT3 (0.53) MAPTSTAT3KMT2AGAAKDM4E
SCHEMBL23601080 0.82 MAPT (0.39) MAPTPOLBDHODHSTAT3KMT2A
SCHEMBL23601076 0.82 MAPT (0.39) MAPTPOLBDHODHKMT2AGAA

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