SCHEMBL29909308

SCHEMBL29909308

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
TP53 P04637 1/20 0.36
PDE5A O76074 2/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
OPRD1 P41143 1/20 0.34
TACR1 P25103 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
DHODH Q02127 1/20 0.32
ADORA2A P29274 1/20 0.32
CYP19A1 P11511 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
SCHEMBL23577546 1.00 SMN1; SMN2 (0.36) SMN1; SMN2ABCG2TP53PDE5AFNTA
SCHEMBL23577126 0.91 TACR1 (0.40) SMN1; SMN2ABCG2PDE5AFNTAFNTB
SCHEMBL29909622 0.91 TACR1 (0.40) SMN1; SMN2ABCG2PDE5AFNTAFNTB
SCHEMBL23578033 0.90 PDE5A (0.44) SMN1; SMN2ABCG2PDE5AALDH1A1KDM4E
SCHEMBL23578009 0.89 ALDH1A1 (0.39) SMN1; SMN2ABCG2TP53PDE5AALDH1A1
SCHEMBL29909882 0.89 ALDH1A1 (0.39) SMN1; SMN2ABCG2TP53PDE5AALDH1A1
SCHEMBL23576887 0.88 DHODH (0.40) SMN1; SMN2ABCG2TP53FNTAFNTB
SCHEMBL29909316 0.88 DHODH (0.40) SMN1; SMN2ABCG2TP53FNTAFNTB
SCHEMBL23577059 0.88 FNTA (0.41) TP53FNTAFNTBOPRD1MAPT
SCHEMBL23576713 0.88 OPRD1 (0.34) SMN1; SMN2ABCG2TP53FNTAFNTB

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-4081305-B1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES INC (JP) 2024-09-18 EP disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed