SCHEMBL29923619

SCHEMBL29923619

COc1cnc2c(c1)C(N1CCc3c(OS(=O)(=O)C(F)(F)F)cc(C(=O)O)cc3C1=O)CCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FKBP1A P62942 6/20 0.33
DRD2 P14416 3/20 0.33
HSD11B1 P28845 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
WDR5 P61964 1/20 0.31
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL27204876 1.00 PARP1 (0.33) PARP1SMN1; SMN2FKBP1ADRD2HSD11B1
SCHEMBL27172709 1.00 PARP1 (0.33) PARP1SMN1; SMN2FKBP1ADRD2HSD11B1
SCHEMBL29923808 0.94 PARP1 (0.33) PARP1SMN1; SMN2FKBP1ADRD2HSD11B1
SCHEMBL27167401 0.81 DRD2 (0.32) SMN1; SMN2DRD2HSD11B1MEN1KMT2A
SCHEMBL27167396 0.80 PARP1 (0.34) PARP1SMN1; SMN2FKBP1ADRD2MEN1
SCHEMBL30053807 0.80 PARP1 (0.34) PARP1SMN1; SMN2FKBP1ADRD2MEN1
SCHEMBL24916114 0.77 SMN1; SMN2 (0.36) PARP1SMN1; SMN2FKBP1AMEN1KMT2A
SCHEMBL29923353 0.77 SMN1; SMN2 (0.36) PARP1SMN1; SMN2FKBP1AMEN1KMT2A
SCHEMBL30054324 0.76 MEN1 (0.32) PARP1SMN1; SMN2DRD2MEN1KMT2A
SCHEMBL24915789 0.75 WDR5 (0.45) SMN1; SMN2WDR5

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-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed