SCHEMBL24814798

SCHEMBL24814798

Fc1ccc2c(c(N3CCCc4c(Br)cccc43)nc3nncn32)c1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
STAT3 P40763 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL30047866 1.00 MAPT (0.42) MAPTSTAT3KMT2APOLBSMN1; SMN2
SCHEMBL24814802 0.97 MAPT (0.41) MAPTSTAT3KMT2APOLBSMN1; SMN2
SCHEMBL23601478 0.90 MAPT (0.42) MAPTSTAT3KMT2APOLBSMN1; SMN2
SCHEMBL30047664 0.90 MAPT (0.43) MAPTSTAT3KMT2APOLBSMN1; SMN2
SCHEMBL24815248 0.88 AKT1 (0.34) MAPTKMT2APOLBSMN1; SMN2HPGD
SCHEMBL23601474 0.87 MAPT (0.41) MAPTSTAT3KMT2APOLBSMN1; SMN2
SCHEMBL29909137 0.85 MAPT (0.39) MAPTSTAT3KMT2APOLBSMN1; SMN2
SCHEMBL30146448 0.85 MAPT (0.39) MAPTSTAT3KMT2APOLBSMN1; SMN2
SCHEMBL23577020 0.85 MAPT (0.39) MAPTSTAT3KMT2APOLBSMN1; SMN2
SCHEMBL23576783 0.83 MAPT (0.38) MAPTSTAT3KMT2APOLBSMN1; SMN2

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-2022271684-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed