SCHEMBL23601062

SCHEMBL23601062

CCN(c1cccc(C)c1)c1nc2nnc(C)n2c2ccc(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 5/20 0.35
ELANE P08246 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTAFR P25105 1/20 0.34
TP53 P04637 2/20 0.33
NQO2 P16083 1/20 0.32
NR3C1 P04150 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31

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
SCHEMBL23576640 0.90 PTAFR (0.33) HTTMAPTKDM4EALDH1A1PTAFR
SCHEMBL29909197 0.90 PTAFR (0.33) HTTMAPTKDM4EALDH1A1PTAFR
SCHEMBL23601058 0.89 MAPT (0.34) MAPTELANEPTAFRTP53NQO2
SCHEMBL23601890 0.84 TP53 (0.39) HTTMEN1TSHRKMT2AMAPT
SCHEMBL29909393 0.82 PTAFR (0.35) PTAFR
SCHEMBL24721236 0.82 PTAFR (0.35) PTAFR
SCHEMBL23601469 0.78 NQO2 (0.32) PTAFRNQO2
SCHEMBL23577346 0.73 PTAFR (0.33) PTAFRNQO2
SCHEMBL29909777 0.73 PTAFR (0.33) PTAFRNQO2
SCHEMBL23601061 0.72 SMN1; SMN2 (0.35) MEN1KMT2AMAPTKDM4ELMNA

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