SCHEMBL29909741

SCHEMBL29909741

CN(C)c1ccc(-c2cccc(N(C)c3nc4nnc(Cl)n4c4ccccc34)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.36
APP P05067 1/20 0.34
PSD A5PKW4 1/20 0.34
PDE5A O76074 2/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
GRM2 Q14416 1/20 0.33
ADK P55263 1/20 0.33
MAPT P10636 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
MAP3K11 Q16584 2/20 0.31
DHODH Q02127 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
SCHEMBL29909353 0.90 ABCG2 (0.37) NPC1POLBGAARAB9ARXFP1
SCHEMBL29909708 0.89 ABCG2 (0.41) NPC1POLBGAARAB9ARXFP1
SCHEMBL29909298 0.88 CFTR (0.36) NPC1POLBGAARAB9ARXFP1
SCHEMBL29909361 0.88 HSD17B1 (0.39) ABCG2PSDPDE5A
SCHEMBL29909750 0.87 ABCG2 (0.36) NPC1POLBGAARAB9ARXFP1
SCHEMBL29909687 0.86 ABCG2 (0.37) ABCG2PDE5ADHODH
SCHEMBL29909758 0.86 ABCG2 (0.37) ABCG2PDE5ADHODH
SCHEMBL29909705 0.86 ABCG2 (0.37) NPC1POLBGAARAB9ARXFP1
SCHEMBL29909542 0.85 ABCG2 (0.34) ABCG2PDE5A
SCHEMBL30961080 0.85 CNR2 (0.38) ABCG2TLR8TLR7

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