SCHEMBL29909197

SCHEMBL29909197

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.33
NQO2 P16083 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
HK1 P19367 2/20 0.30
HKDC1 Q2TB90 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 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
SCHEMBL23576640 1.00 PTAFR (0.33) PTAFRNQO2MAPTKDM4EMAPK1
SCHEMBL23601062 0.90 HTT (0.38) PTAFRNQO2MAPTKDM4EMAPK1
SCHEMBL29909393 0.80 PTAFR (0.35) PTAFR
SCHEMBL24721236 0.80 PTAFR (0.35) PTAFR
SCHEMBL23601058 0.79 MAPT (0.34) PTAFRNQO2MAPTPTGDR2SMN1; SMN2
SCHEMBL23601890 0.74 TP53 (0.39) MAPTKDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL30013647 0.72 ABCG2 (0.35) MAPTKDM4EALDH1A1
SCHEMBL23577618 0.72 ABCG2 (0.35) MAPTKDM4EALDH1A1
SCHEMBL23601469 0.72 NQO2 (0.32) PTAFRNQO2
SCHEMBL23577346 0.71 PTAFR (0.33) PTAFRNQO2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed