SCHEMBL5496567

SCHEMBL5496567

CC1C(=O)Nc2ccccc21.CCC1(C)C(=O)Nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
IDO1 P14902 1/20 0.38
PGR P06401 2/20 0.36
BRPF1 P55201 1/20 0.36
CREBBP Q92793 1/20 0.36
HTR5A P47898 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL24740182 0.84 PDK2 (0.60) PDK2PDK4POLBALDH1A1IDO1
SCHEMBL5500770 0.84 PDK2 (0.60) PDK2PDK4POLBALDH1A1IDO1
SCHEMBL30088920 0.79 BRPF1 (0.53) MAPTL3MBTL1ALDH1A1IDO1PGR
SCHEMBL19054962 0.79 BRPF1 (0.53) MAPTL3MBTL1ALDH1A1IDO1PGR
SCHEMBL260994 0.79 BRPF1 (0.53) MAPTL3MBTL1ALDH1A1IDO1PGR
SCHEMBL5497405 0.72 MAPT (0.48) PDK2PDK4POLBMAPTL3MBTL1
SCHEMBL11535997 0.70 PDK2 (0.47) PDK2PDK4POLBMAPTALDH1A1
SCHEMBL15499981 0.70 PDK2 (0.50) PDK2PDK4POLBMAPTL3MBTL1
SCHEMBL3520823 0.69 PDK2 (0.57) PDK2PDK4POLBPGRGAA
SCHEMBL29695374 0.69 PDK2 (0.57) PDK2PDK4POLBPGRGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778222-A1 PROGESTERONE RECEPTOR MODULATORS COMPRISING PYRROLE-OXINDOLE DERIVATIVES AND USES THEREOF Wyeth (US) 2007-05-02 EP disclosed
WO-2006023107-A1 PROGESTERONE RECEPTOR MODULATORS COMPRISING PYRROLE-OXINDOLE DERIVATIVES AND USES THEREOF WYETH (US) 2006-03-02 WO disclosed