SCHEMBL29909292

SCHEMBL29909292

CCN(c1cccc(I)c1)c1nc(NN)nc2ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 4/20 0.33
APP P05067 1/20 0.33
DHODH Q02127 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
EGFR P00533 2/20 0.33
CSF1R P07333 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL23577571 1.00 GAA (0.34) GAAALDH1A1MAPTAPPDHODH
SCHEMBL23577618 0.84 ABCG2 (0.35) ALDH1A1MAPTDHODHABCG2EGFR
SCHEMBL30013647 0.84 ABCG2 (0.35) ALDH1A1MAPTDHODHABCG2EGFR
SCHEMBL30013703 0.78 EGFR (0.41) GAAMAPTEGFRCSF1RMEN1
SCHEMBL23576846 0.78 EGFR (0.41) GAAMAPTEGFRCSF1RMEN1
SCHEMBL23576718 0.76 ABCG2 (0.47) ABCG2
SCHEMBL23601686 0.74 MEN1 (0.48) GAAMAPTEGFRCSF1RMEN1
SCHEMBL23601525 0.73 PTGS2 (0.31)
SCHEMBL23576651 0.72 MMP13 (0.30)
SCHEMBL29909359 0.72 MMP13 (0.30)

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 3 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
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed