SCHEMBL30117854

SCHEMBL30117854

CC(C)(C)OC(=O)c1n[nH]c2cc(Br)ccc12.CCCCOC(=O)c1n[nH]c2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
KDM4E B2RXH2 3/20 0.44
GSK3B P49841 3/20 0.43
IDO1 P14902 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
DYRK1A Q13627 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL4782423 0.88 ATM (0.54) ATMKDM4EGSK3BHPGDMAPK1
SCHEMBL492873 0.85 DYRK1A (0.50) KDM4EGSK3BIDO1NPC1RAB9A
SCHEMBL1964170 0.85 PDPK1 (0.50) KDM4EGSK3BIDO1LMNADYRK1A
Tert-Butyl Formate SCHEMBL27760082 0.79 PDPK1 (0.43) KDM4EGSK3BIDO1LMNADYRK1A
SCHEMBL1636035 0.78 KDM4E (0.66) KDM4EGSK3BNPC1RAB9ALMNA
SCHEMBL492203 0.78 KDM4E (0.66) KDM4EGSK3BIDO1NPC1RAB9A
SCHEMBL23901082 0.72 MAP2K4 (0.47) KDM4EHPGDMAPK1HSD17B10NPC1
SCHEMBL498163 0.71 KDM4E (0.63) KDM4EGSK3BIDO1SMN1; SMN2DYRK1A
SCHEMBL30258217 0.71 KDM4E (0.63) KDM4EGSK3BIDO1SMN1; SMN2DYRK1A
SCHEMBL4291226 0.71 KDM4E (0.63) KDM4EGSK3BIDO1HTTDYRK1A

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-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP disclosed