SCHEMBL9757220

SCHEMBL9757220

NCc1ccc2c(c1)CN(c1cc3c(cc1F)c(=O)c(C(=O)O)c(C(=O)O)n3C1CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.41
PIM1 P11309 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
RPS6KA3 P51812 1/20 0.41
DYRK1A Q13627 1/20 0.41
PIM3 Q86V86 1/20 0.41
CSNK1G3 Q9Y6M4 1/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
TOP1 P11387 6/20 0.38
CYP1A2 P05177 1/20 0.38
TOP2A P11388 1/20 0.38
CYP2C9 P11712 1/20 0.38
TOP2B Q02880 1/20 0.38

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
Hydrochloric Acid SCHEMBL9757445 0.80 KDM4E (0.59) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL6863234 0.74 ALDH1A1 (0.58) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9757225 0.74 KDM4E (0.47) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL30686874 0.73 ALDH1A1 (0.59) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL6864144 0.71 ALDH1A1 (0.54) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9541489 0.70 PRKD3 (0.45) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9757402 0.69 KDM4E (0.59) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9544012 0.69 PRKD3 (0.43) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL6858077 0.68 ALDH1A1 (0.51) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9757408 0.68 KCNH2 (0.55) PRKD3GSK3BALDH1A1KDM4EHPGD

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
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed