SCHEMBL29909672

SCHEMBL29909672

Cc1ccccc1-c1cccc(N(C)c2nc3nncn3c3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
PDE5A O76074 2/20 0.38
HTR7 P34969 1/20 0.37
MAPK1 P28482 3/20 0.36
MAPT P10636 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL23576729 1.00 SMN1; SMN2 (0.41) SMN1; SMN2TSHRALDH1A1POLBKDM4E
SCHEMBL29909532 0.88 ABCG2 (0.42) SMN1; SMN2TSHRALDH1A1ABCG2PDE5A
SCHEMBL23576805 0.88 ABCG2 (0.42) SMN1; SMN2TSHRALDH1A1ABCG2PDE5A
SCHEMBL23577235 0.88 ABCG2 (0.37) SMN1; SMN2TSHRALDH1A1POLBKDM4E
SCHEMBL23578033 0.88 PDE5A (0.44) SMN1; SMN2TSHRALDH1A1POLBKDM4E
SCHEMBL29909130 0.87 HTR7 (0.40) TSHRALDH1A1HPGDHSD17B10ABCG2
SCHEMBL23576941 0.87 HTR7 (0.40) TSHRALDH1A1HPGDHSD17B10ABCG2
SCHEMBL29909882 0.86 ALDH1A1 (0.39) SMN1; SMN2TSHRALDH1A1POLBKDM4E
SCHEMBL23578009 0.86 ALDH1A1 (0.39) SMN1; SMN2TSHRALDH1A1POLBKDM4E
SCHEMBL23577241 0.84 MAPT (0.43) SMN1; SMN2TSHRALDH1A1ABCG2PDE5A

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
EP-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed