SCHEMBL29909329

SCHEMBL29909329

CN(c1ccccc1)c1nc2nncn2c2cc(-c3cccc(F)c3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.47
PDE5A O76074 2/20 0.38
DHODH Q02127 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL23577176 1.00 ABCG2 (0.47) ABCG2PDE5ADHODHSMN1; SMN2KDM4E
SCHEMBL23601533 0.91 SMN1; SMN2 (0.40) ABCG2PDE5ADHODHSMN1; SMN2
SCHEMBL23577125 0.91 PDE5A (0.42) ABCG2PDE5ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23576963 0.89 ABCG2 (0.42) ABCG2PDE5ASMN1; SMN2
SCHEMBL30961070 0.89 ABCG2 (0.42) ABCG2PDE5ASMN1; SMN2
SCHEMBL29909289 0.88 ABCG2 (0.51) ABCG2PDE5ADHODHSMN1; SMN2KDM4E
SCHEMBL23601567 0.88 ABCG2 (0.51) ABCG2PDE5ADHODHSMN1; SMN2KDM4E
SCHEMBL29909562 0.85 BACE1 (0.37) ABCG2PDE5A
SCHEMBL23577767 0.85 BACE1 (0.37) ABCG2PDE5A
SCHEMBL23577302 0.85 HTR6 (0.39) PDE5A

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