SCHEMBL29203239

SCHEMBL29203239

CC(C)(C)OC(=O)NCCn1c(=O)c(OCC(=O)O)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.39
DRD2 P14416 1/20 0.37
PARG Q86W56 1/20 0.36
GNRHR P30968 1/20 0.36
CCR2 P41597 1/20 0.35
MAPT P10636 2/20 0.35
ALOX5 P09917 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP19A1 P11511 1/20 0.34
DYRK1A Q13627 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
SCHEMBL30232307 1.00 BRD4 (0.42) BRD4PTGDR2DRD2PARGGNRHR
SCHEMBL29203208 0.92 BRD4 (0.41) BRD4DRD2PARGGNRHRMAPT
SCHEMBL30232455 0.92 BRD4 (0.41) BRD4DRD2PARGGNRHRMAPT
SCHEMBL29203290 0.91 BRD4 (0.41) BRD4DRD2PARGGNRHRMAPT
SCHEMBL30232185 0.91 BRD4 (0.41) BRD4DRD2PARGGNRHRMAPT
SCHEMBL28548429 0.78 PTGDR2 (0.50) PTGDR2CCR2MAPTRAB9ASMN1; SMN2
SCHEMBL30414767 0.78 PTGDR2 (0.50) PTGDR2CCR2MAPTRAB9ASMN1; SMN2
SCHEMBL30881379 0.76 BRD4 (0.40) BRD4DRD2PARGMAPTSMN1; SMN2
SCHEMBL29203308 0.76 BRD4 (0.40) BRD4DRD2PARGMAPTSMN1; SMN2
SCHEMBL3414187 0.76 BRD4 (0.49) BRD4DRD2MAPTNPC1RAB9A

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
CN-117980290-A Cyanopyridine and cyanopyrimidine BCL6 degrading agents 达纳-法伯癌症研究所公司 2024-05-03 CN disclosed