SCHEMBL29318080

SCHEMBL29318080

C[C@@H](CC(=O)O)OC(=O)Nc1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
ACACB O00763 1/20 0.34
PPIA P62937 3/20 0.33
SMPD1 P17405 1/20 0.33
BRD4 O60885 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RIPK1 Q13546 1/20 0.32
NPC1 O15118 2/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL2944987 0.86 SMN1; SMN2 (0.40) SMN1; SMN2HPGDMAPTNPY1RNPY2R
SCHEMBL13784389 0.85 HPGD (0.36) SMN1; SMN2HPGDMAPTNPY1RNPY2R
SCHEMBL23788253 0.85 SMN1; SMN2 (0.43) SMN1; SMN2HPGDMAPTNPY1RNPY2R
SCHEMBL23788247 0.84 HPGD (0.37) SMN1; SMN2HPGDMAPTNPY1RNPY2R
SCHEMBL23788496 0.83 ADAMTS4 (0.33) SMN1; SMN2HPGDMAPTNPY1RNPY2R
SCHEMBL23788255 0.83 MAPT (0.38) SMN1; SMN2HPGDMAPTNPY1RNPY2R
SCHEMBL26368792 0.83 MAPT (0.39) SMN1; SMN2HPGDMAPTNPY1RNPY2R
SCHEMBL29318143 0.81 SMN1; SMN2 (0.39) SMN1; SMN2HPGDMAPTNPY1RNPY2R
SCHEMBL26367242 0.81 SMN1; SMN2 (0.38) SMN1; SMN2HPGDMAPTNPY1RNPY2R
SCHEMBL23788251 0.80 MAPT (0.39) SMN1; SMN2HPGDMAPTNPY1RNPY2R

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-3810115-B1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND AMINO GROUP BASILEA PHARMACEUTICA INT AG ALLSCHWIL (CH) 2024-07-17 EP disclosed