SCHEMBL29909029

SCHEMBL29909029

CN(c1cccc(-c2ccc(F)cc2)c1)c1nc2nncn2c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.45
DHODH Q02127 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
PDE5A O76074 2/20 0.38
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 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
SCHEMBL23576621 1.00 ABCG2 (0.45) ABCG2DHODHSMN1; SMN2PDE5AMAPT
SCHEMBL23601567 0.93 ABCG2 (0.51) ABCG2DHODHSMN1; SMN2PDE5AALDH1A1
SCHEMBL29909289 0.93 ABCG2 (0.51) ABCG2DHODHSMN1; SMN2PDE5AALDH1A1
SCHEMBL23578033 0.92 PDE5A (0.44) ABCG2DHODHSMN1; SMN2PDE5AALDH1A1
SCHEMBL29909882 0.90 ALDH1A1 (0.39) ABCG2DHODHSMN1; SMN2PDE5AMAPT
SCHEMBL23578009 0.90 ALDH1A1 (0.39) ABCG2DHODHSMN1; SMN2PDE5AMAPT
SCHEMBL29909772 0.89 FNTA (0.40) ABCG2SMN1; SMN2PDE5AMAPTALDH1A1
SCHEMBL23577687 0.89 ABCG2 (0.38) ABCG2DHODHSMN1; SMN2PDE5AMAPT
SCHEMBL23576825 0.89 FNTA (0.40) ABCG2SMN1; SMN2PDE5AMAPTALDH1A1
SCHEMBL23577126 0.89 TACR1 (0.40) ABCG2DHODHSMN1; SMN2PDE5A

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