SCHEMBL10075552

SCHEMBL10075552

CC(c1ccc(C(=O)NC(C)(C)C)cc1)c1ccc(C(=O)NC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NR1H4 Q96RI1 2/20 0.45
MAPT P10636 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 1/20 0.42
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.41

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
SCHEMBL10169241 0.89 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17865779 0.85 LMNA (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14846585 0.85 ROCK2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL692734 0.85 LMNA (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL19177762 0.84 ROCK2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12591847 0.84 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL19177763 0.84 ROCK2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28360425 0.83 LMNA (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20017287 0.81 MLYCD (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19179073 0.80 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-2212301-B1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD (IN) 2012-02-29 EP disclosed